2-Methyloctahydropyrrolo[3,4-c]pyrrole - CAS 86732-28-7

Catalog:	BB076048
Product Name:	2-Methyloctahydropyrrolo[3,4-c]pyrrole
CAS:	86732-28-7
Synonyms:	Octahydro-2-methylpyrrolo[3,4-c]pyrrole; 2-Methylhexahydropyrrolo[3,4-c]pyrrole; 5-Methyloctahydropyrrolo[3,4-c]pyrrole

Technical Data

IUPAC Name:	5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
Description:	2-Methyloctahydropyrrolo[3,4-c]pyrrole is used as a reagent in the synthesis of novel aryl substituted urea derivatives which can exhibit antimicrobial activity against pathogenic bacteria and fungi. 2-Methyloctahydropyrrolo[3,4-c]pyrrole is also used in the preparation of 3-hydroxyquinazoline-2,4-dione antibacterial agents.
Molecular Weight:	126.2
Molecular Formula:	C7H14N2
Canonical SMILES:	CN1CC2CNCC2C1
InChI:	InChI=1S/C7H14N2/c1-9-4-6-2-8-3-7(6)5-9/h6-8H,2-5H2,1H3
InChI Key:	YQURLNGUWNDBIR-UHFFFAOYSA-N
References:	Pochampally, J., et al. Pharma Chem., 6, 269 (2014); Tran, T.P., et al. Bioorg. Med. Chem. Lett., 14, 4405 (2004).

Complexity:	102
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.115698455
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.115698455
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.3Å²
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1