(2S)-4-phenylpyrrolidine-2-carboxamide

C11H14N2O — CID 171062215

IUPAC(2S)-4-phenylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC(c2ccccc2)CN1
InChIInChI=1S/C11H14N2O/c12-11(14)10-6-9(7-13-10)8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H2,12,14)/t9?,10-/m0/s1
InChIKeyFIMSVGSMVREODS-AXDSSHIGSA-N
MW190.25 g/mol
LogP0.62
Rot. Bonds2

About (2S)-4-phenylpyrrolidine-2-carboxamide

(2S)-4-phenylpyrrolidine-2-carboxamide (PubChem CID 171062215) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (2S)-4-phenylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-phenylpyrrolidine-2-carboxamide
PubChem CID171062215
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(2S)-4-phenylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC(c2ccccc2)CN1
InChIInChI=1S/C11H14N2O/c12-11(14)10-6-9(7-13-10)8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H2,12,14)/t9?,10-/m0/s1
InChIKeyFIMSVGSMVREODS-AXDSSHIGSA-N
XLogP0.62
TPSA55.12 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 ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-phenylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-4-phenylpyrrolidine-2-carboxamide (CID 171062215) is (2S)-4-phenylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-4-phenylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-4-phenylpyrrolidine-2-carboxamide is NC(=O)[C@@H]1CC(c2ccccc2)CN1.
What is the InChIKey of (2S)-4-phenylpyrrolidine-2-carboxamide?
The InChIKey is FIMSVGSMVREODS-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H14N2O/c12-11(14)10-6-9(7-13-10)8-4-2-1-3-5-8/h1-5,9-10,13H,6-7H2,(H2,12,14)/t9?,10-/m0/s1.
What are the key properties of (2S)-4-phenylpyrrolidine-2-carboxamide?
(2S)-4-phenylpyrrolidine-2-carboxamide has a molecular weight of 190.25 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-phenylpyrrolidine-2-carboxamide is sourced from PubChem (CID 171062215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).