(3S)-N-benzylpyrrolidine-3-carboxamide

C12H16N2O — CID 94915415

IUPAC(3S)-N-benzylpyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C12H16N2O/c15-12(11-6-7-13-9-11)14-8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)/t11-/m0/s1
InChIKeyVQIHUWMWSRARCP-NSHDSACASA-N
MW204.27 g/mol
LogP0.91
Rot. Bonds3

About (3S)-N-benzylpyrrolidine-3-carboxamide

(3S)-N-benzylpyrrolidine-3-carboxamide (PubChem CID 94915415) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (3S)-N-benzylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-benzylpyrrolidine-3-carboxamide
PubChem CID94915415
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(3S)-N-benzylpyrrolidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@H]1CCNC1
InChIInChI=1S/C12H16N2O/c15-12(11-6-7-13-9-11)14-8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)/t11-/m0/s1
InChIKeyVQIHUWMWSRARCP-NSHDSACASA-N
XLogP0.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzylpiperidine-4-carboxamide
CID 3868064
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
N-benzyl-1-(pyrrolidine-3-carbonyl)piperidine-4-carboxamide;hydrochloride
CID 119692939
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
N-(naphthalen-1-ylmethyl)pyrrolidine-3-carboxamide
CID 63006320
N-[[3-[(dimethylamino)methyl]phenyl]methyl]pyrrolidine-3-carboxamide
CID 119842564
N-[2-(benzylsulfamoyl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119723701
N-[(4-nitrophenyl)methyl]pyrrolidine-3-carboxamide
CID 63006821
N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55150240
N-[(2-phenylmethoxyphenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119736957
N-[(3-hydroxyphenyl)methyl]piperidine-3-carboxamide
CID 110471905
N-[[3-(3-methylphenyl)phenyl]methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119767534

Frequently Asked Questions

What is the IUPAC name of (3S)-N-benzylpyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-benzylpyrrolidine-3-carboxamide (CID 94915415) is (3S)-N-benzylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-benzylpyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-benzylpyrrolidine-3-carboxamide is O=C(NCc1ccccc1)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-benzylpyrrolidine-3-carboxamide?
The InChIKey is VQIHUWMWSRARCP-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O/c15-12(11-6-7-13-9-11)14-8-10-4-2-1-3-5-10/h1-5,11,13H,6-9H2,(H,14,15)/t11-/m0/s1.
What are the key properties of (3S)-N-benzylpyrrolidine-3-carboxamide?
(3S)-N-benzylpyrrolidine-3-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-benzylpyrrolidine-3-carboxamide is sourced from PubChem (CID 94915415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).