(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide

C12H16N2O — CID 94915623

IUPAC(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1NC(=O)[C@@H]1CCNC1
InChIInChI=1S/C12H16N2O/c1-9-4-2-3-5-11(9)14-12(15)10-6-7-13-8-10/h2-5,10,13H,6-8H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyOAEQHWTUJBBUHI-SNVBAGLBSA-N
MW204.27 g/mol
LogP1.54
Rot. Bonds2

About (3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide

(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide (PubChem CID 94915623) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
PubChem CID94915623
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide
SMILESCc1ccccc1NC(=O)[C@@H]1CCNC1
InChIInChI=1S/C12H16N2O/c1-9-4-2-3-5-11(9)14-12(15)10-6-7-13-8-10/h2-5,10,13H,6-8H2,1H3,(H,14,15)/t10-/m1/s1
InChIKeyOAEQHWTUJBBUHI-SNVBAGLBSA-N
XLogP1.54
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670575
(3R)-N-(2-fluorophenyl)pyrrolidine-3-carboxamide
CID 94915553
N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119674755
N-(2-methoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670539
N-(3-bromo-2-methylphenyl)pyrrolidine-3-carboxamide
CID 103808589
N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119715831
N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 119798016
N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide
CID 63007219
N-[2-(methoxymethyl)phenyl]pyrrolidine-3-carboxamide
CID 63007076
N-[2-methyl-3-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006819
N-(2-propan-2-ylsulfanylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119798015
N-(2,3-dimethylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119261898

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide (CID 94915623) is (3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide is Cc1ccccc1NC(=O)[C@@H]1CCNC1.
What is the InChIKey of (3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is OAEQHWTUJBBUHI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-4-2-3-5-11(9)14-12(15)10-6-7-13-8-10/h2-5,10,13H,6-8H2,1H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide?
(3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2-methylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94915623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).