(2S)-N-phenylpyrrolidine-2-carboxamide

C11H14N2O — CID 6552381

IUPAC(2S)-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C11H14N2O/c14-11(10-7-4-8-12-10)13-9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2,(H,13,14)/t10-/m0/s1
InChIKeyNRXYBKZDRCXDOD-JTQLQIEISA-N
MW190.25 g/mol
LogP1.38
Rot. Bonds2

About (2S)-N-phenylpyrrolidine-2-carboxamide

(2S)-N-phenylpyrrolidine-2-carboxamide (PubChem CID 6552381) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (2S)-N-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-phenylpyrrolidine-2-carboxamide
PubChem CID6552381
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(2S)-N-phenylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C11H14N2O/c14-11(10-7-4-8-12-10)13-9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2,(H,13,14)/t10-/m0/s1
InChIKeyNRXYBKZDRCXDOD-JTQLQIEISA-N
XLogP1.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-phenylpyrrolidine-2-carboxamide (CID 6552381) is (2S)-N-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-phenylpyrrolidine-2-carboxamide is O=C(Nc1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-phenylpyrrolidine-2-carboxamide?
The InChIKey is NRXYBKZDRCXDOD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2O/c14-11(10-7-4-8-12-10)13-9-5-2-1-3-6-9/h1-3,5-6,10,12H,4,7-8H2,(H,13,14)/t10-/m0/s1.
What are the key properties of (2S)-N-phenylpyrrolidine-2-carboxamide?
(2S)-N-phenylpyrrolidine-2-carboxamide has a molecular weight of 190.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 6552381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).