(2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

C7H13ClN2O — CID 67043766

IUPAC(2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCN(C)C(=O)[C@@H]1C=CCN1.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-9(2)7(10)6-4-3-5-8-6;/h3-4,6,8H,5H2,1-2H3;1H/t6-;/m0./s1
InChIKeyXKDYWMJYMBGHNJ-RGMNGODLSA-N
MW176.65 g/mol
LogP0.02
Rot. Bonds1

About (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride

(2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (PubChem CID 67043766) has the molecular formula C7H13ClN2O and a molecular weight of 176.65 g/mol. Its IUPAC name is (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
PubChem CID67043766
Molecular FormulaC7H13ClN2O
Molecular Weight176.65 g/mol
Exact Mass176.07
IUPAC Name(2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
SMILESCN(C)C(=O)[C@@H]1C=CCN1.Cl
InChIInChI=1S/C7H12N2O.ClH/c1-9(2)7(10)6-4-3-5-8-6;/h3-4,6,8H,5H2,1-2H3;1H/t6-;/m0./s1
InChIKeyXKDYWMJYMBGHNJ-RGMNGODLSA-N
XLogP0.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.65
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride (CID 67043766) is (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is CN(C)C(=O)[C@@H]1C=CCN1.Cl.
What is the InChIKey of (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
The InChIKey is XKDYWMJYMBGHNJ-RGMNGODLSA-N. The full InChI is InChI=1S/C7H12N2O.ClH/c1-9(2)7(10)6-4-3-5-8-6;/h3-4,6,8H,5H2,1-2H3;1H/t6-;/m0./s1.
What are the key properties of (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride?
(2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride has a molecular weight of 176.65 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dimethyl-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 67043766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).