(2S)-N-(2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride

C12H17ClN2O — CID 24746793

IUPAC(2S)-N-(2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccccc1NC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-9-5-2-3-6-10(9)14-12(15)11-7-4-8-13-11;/h2-3,5-6,11,13H,4,7-8H2,1H3,(H,14,15);1H/t11-;/m0./s1
InChIKeyBTHJLNCNPRFCID-MERQFXBCSA-N
MW240.73 g/mol
LogP2.11
Rot. Bonds2

About (2S)-N-(2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride

(2S)-N-(2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 24746793) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is (2S)-N-(2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-(2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
PubChem CID24746793
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name(2S)-N-(2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
SMILESCc1ccccc1NC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C12H16N2O.ClH/c1-9-5-2-3-6-10(9)14-12(15)11-7-4-8-13-11;/h2-3,5-6,11,13H,4,7-8H2,1H3,(H,14,15);1H/t11-;/m0./s1
InChIKeyBTHJLNCNPRFCID-MERQFXBCSA-N
XLogP2.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-(2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride (CID 24746793) is (2S)-N-(2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-(2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-(2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride is Cc1ccccc1NC(=O)[C@@H]1CCCN1.Cl.
What is the InChIKey of (2S)-N-(2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is BTHJLNCNPRFCID-MERQFXBCSA-N. The full InChI is InChI=1S/C12H16N2O.ClH/c1-9-5-2-3-6-10(9)14-12(15)11-7-4-8-13-11;/h2-3,5-6,11,13H,4,7-8H2,1H3,(H,14,15);1H/t11-;/m0./s1.
What are the key properties of (2S)-N-(2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-(2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 240.73 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 24746793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).