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

C6H13ClN2O — CID 18664331

IUPAC(2S)-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCNC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-7-6(9)5-3-2-4-8-5;/h5,8H,2-4H2,1H3,(H,7,9);1H/t5-;/m0./s1
InChIKeyPRQAIVKHRVEJPG-JEDNCBNOSA-N
MW164.64 g/mol
LogP-0.09
Rot. Bonds1

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

(2S)-N-methylpyrrolidine-2-carboxamide;hydrochloride (PubChem CID 18664331) has the molecular formula C6H13ClN2O and a molecular weight of 164.64 g/mol. Its IUPAC name is (2S)-N-methylpyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-methylpyrrolidine-2-carboxamide;hydrochloride
PubChem CID18664331
Molecular FormulaC6H13ClN2O
Molecular Weight164.64 g/mol
Exact Mass164.07
IUPAC Name(2S)-N-methylpyrrolidine-2-carboxamide;hydrochloride
SMILESCNC(=O)[C@@H]1CCCN1.Cl
InChIInChI=1S/C6H12N2O.ClH/c1-7-6(9)5-3-2-4-8-5;/h5,8H,2-4H2,1H3,(H,7,9);1H/t5-;/m0./s1
InChIKeyPRQAIVKHRVEJPG-JEDNCBNOSA-N
XLogP-0.09
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.64
LogP ≤ 5-0.09
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;hydrochloride?
The IUPAC name of (2S)-N-methylpyrrolidine-2-carboxamide;hydrochloride (CID 18664331) is (2S)-N-methylpyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-methylpyrrolidine-2-carboxamide;hydrochloride is CNC(=O)[C@@H]1CCCN1.Cl.
What is the InChIKey of (2S)-N-methylpyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is PRQAIVKHRVEJPG-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H12N2O.ClH/c1-7-6(9)5-3-2-4-8-5;/h5,8H,2-4H2,1H3,(H,7,9);1H/t5-;/m0./s1.
What are the key properties of (2S)-N-methylpyrrolidine-2-carboxamide;hydrochloride?
(2S)-N-methylpyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 164.64 g/mol, XLogP of -0.09, 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;hydrochloride is sourced from PubChem (CID 18664331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).