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Methyl 1-Benzyl-2,5-dihydropyrrole-3-carboxylate

Methyl 1-Benzyl-2,5-dihydropyrrole-3-carboxylate - CAS 101046-34-8

Catalog:	BB000422
Product Name:	Methyl 1-Benzyl-2,5-dihydropyrrole-3-carboxylate
CAS:	101046-34-8
Synonyms:	1-(phenylmethyl)-2,5-dihydropyrrole-3-carboxylic acid methyl ester; methyl 1-benzyl-2,5-dihydropyrrole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 1-benzyl-2,5-dihydropyrrole-3-carboxylate
Description:	Methyl 1-Benzyl-2,5-dihydropyrrole-3-carboxylate (CAS# 101046-34-8) is a useful research chemical.
Molecular Weight:	217.26
Molecular Formula:	C13H15NO2
Canonical SMILES:	COC(=O)C1=CCN(C1)CC2=CC=CC=C2
InChI:	InChI=1S/C13H15NO2/c1-16-13(15)12-7-8-14(10-12)9-11-5-3-2-4-6-11/h2-7H,8-10H2,1H3
InChI Key:	KRKHGZZFPSTQSW-UHFFFAOYSA-N
Boiling Point:	307.7 °C at 760 mmHg
Density:	1.161 g/cm³
LogP:	1.53950

Publication Number	Title	Priority Date
EA-028722-B1	Imidazopyridine derivatives as modulators of tnf activity	20120713
EP-2872508-A1	Imidazopyridine derivatives as modulators of tnf activity	20120713
EP-2872508-B1	Imidazopyridine derivatives as modulators of tnf activity	20120713
JP-2015522051-A	Imidazopyridine derivatives as modulators of TNF activity	20120713
JP-6259823-B2	Imidazopyridine derivatives as modulators of TNF activity	20120713

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride

Complexity:	280
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.110278721
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	217.110278721
Rotatable Bond Count:	4
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6