(2S)-N-methylpyrrolidine-2-carboxamide

C6H12N2O — CID 10374482

IUPAC(2S)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C6H12N2O/c1-7-6(9)5-3-2-4-8-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1
InChIKeyURHXQSTYLJNJMT-YFKPBYRVSA-N
MW128.18 g/mol
LogP-0.52
Rot. Bonds1

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

(2S)-N-methylpyrrolidine-2-carboxamide (PubChem CID 10374482) has the molecular formula C6H12N2O and a molecular weight of 128.18 g/mol. Its IUPAC name is (2S)-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methylpyrrolidine-2-carboxamide
PubChem CID10374482
Molecular FormulaC6H12N2O
Molecular Weight128.18 g/mol
Exact Mass128.09
IUPAC Name(2S)-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)[C@@H]1CCCN1
InChIInChI=1S/C6H12N2O/c1-7-6(9)5-3-2-4-8-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1
InChIKeyURHXQSTYLJNJMT-YFKPBYRVSA-N
XLogP-0.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-methylpyrrolidine-2-carboxamide (CID 10374482) is (2S)-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-methylpyrrolidine-2-carboxamide is CNC(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-methylpyrrolidine-2-carboxamide?
The InChIKey is URHXQSTYLJNJMT-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H12N2O/c1-7-6(9)5-3-2-4-8-5/h5,8H,2-4H2,1H3,(H,7,9)/t5-/m0/s1.
What are the key properties of (2S)-N-methylpyrrolidine-2-carboxamide?
(2S)-N-methylpyrrolidine-2-carboxamide has a molecular weight of 128.18 g/mol, XLogP of -0.52, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10374482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).