(3S)-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride

C7H15ClN2O — CID 67293927

IUPAC(3S)-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride
SMILESCN(C)C(=O)[C@H]1CCNC1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-9(2)7(10)6-3-4-8-5-6;/h6,8H,3-5H2,1-2H3;1H/t6-;/m0./s1
InChIKeyDSOXCJZZKVNNJB-RGMNGODLSA-N
MW178.66 g/mol
LogP0.11
Rot. Bonds1

About (3S)-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride

(3S)-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 67293927) has the molecular formula C7H15ClN2O and a molecular weight of 178.66 g/mol. Its IUPAC name is (3S)-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3S)-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID67293927
Molecular FormulaC7H15ClN2O
Molecular Weight178.66 g/mol
Exact Mass178.09
IUPAC Name(3S)-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride
SMILESCN(C)C(=O)[C@H]1CCNC1.Cl
InChIInChI=1S/C7H14N2O.ClH/c1-9(2)7(10)6-3-4-8-5-6;/h6,8H,3-5H2,1-2H3;1H/t6-;/m0./s1
InChIKeyDSOXCJZZKVNNJB-RGMNGODLSA-N
XLogP0.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.66
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3S)-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride (CID 67293927) is (3S)-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3S)-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3S)-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride is CN(C)C(=O)[C@H]1CCNC1.Cl.
What is the InChIKey of (3S)-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is DSOXCJZZKVNNJB-RGMNGODLSA-N. The full InChI is InChI=1S/C7H14N2O.ClH/c1-9(2)7(10)6-3-4-8-5-6;/h6,8H,3-5H2,1-2H3;1H/t6-;/m0./s1.
What are the key properties of (3S)-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride?
(3S)-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 178.66 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 67293927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).