3-Methoxy-4-(pyrrolidin-1-yl)benzonitrile - CAS 1393442-48-2
Catalog: |
BB076175 |
Product Name: |
3-Methoxy-4-(pyrrolidin-1-yl)benzonitrile |
CAS: |
1393442-48-2 |
Synonyms: |
3-METHOXY-4-(PYRROLIDIN-1-YL)BENZONITRILE; 3-methoxy-4-pyrrolidin-1-ylbenzonitrile; Benzonitrile, 3-methoxy-4-(1-pyrrolidinyl)- |
IUPAC Name: | 3-methoxy-4-pyrrolidin-1-ylbenzonitrile |
Description: | 3-Methoxy-4-(pyrrolidin-1-yl)benzonitrile |
Molecular Weight: | 202.25 |
Molecular Formula: | C12H14N2O |
Canonical SMILES: | COC1=C(C=CC(=C1)C#N)N2CCCC2 |
InChI: | InChI=1S/C12H14N2O/c1-15-12-8-10(9-13)4-5-11(12)14-6-2-3-7-14/h4-5,8H,2-3,6-7H2,1H3 |
InChI Key: | XRKHRCVWQIBKPW-UHFFFAOYSA-N |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.110613074 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.110613074 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 36.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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