1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride

C14H19ClN2O — CID 175899155

IUPAC1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC(=O)C1(c2ccccc2)CC1N1CCCC1
InChIInChI=1S/C14H18N2O.ClH/c15-13(17)14(11-6-2-1-3-7-11)10-12(14)16-8-4-5-9-16;/h1-3,6-7,12H,4-5,8-10H2,(H2,15,17);1H
InChIKeyHZTYLNLXQXLGQT-UHFFFAOYSA-N
MW266.77 g/mol
LogP1.70
Rot. Bonds3

About 1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride

1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride (PubChem CID 175899155) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride
PubChem CID175899155
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC(=O)C1(c2ccccc2)CC1N1CCCC1
InChIInChI=1S/C14H18N2O.ClH/c15-13(17)14(11-6-2-1-3-7-11)10-12(14)16-8-4-5-9-16;/h1-3,6-7,12H,4-5,8-10H2,(H2,15,17);1H
InChIKeyHZTYLNLXQXLGQT-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2R)-2-(aminomethyl)-1-phenylcyclopropyl]-pyrrolidin-1-ylmethanone
CID 3064685
2-fluoro-1-phenylcyclohexane-1-carboxamide
CID 68810873
1-phenyl-2-(1-phenylethyl)cyclopropane-1-carboxamide
CID 69092013
cis-ethyl (1R,2S)-2-carbamoyl-2-phenylcyclopropane-1-carboxylate
CID 121371274
1-phenyl-2-pyrrolidin-1-ylcyclopentan-1-ol
CID 20569063
1-(2-benzyl-2-phenylcyclopropyl)pyrrolidine
CID 173232892
1-phenylcyclopentane-1-carboxamide;dihydrochloride
CID 142770378
1-phenylcyclopropane-1-carboxamide;hydrochloride
CID 57461944
1-phenyl-2-piperidin-1-ylcyclohexan-1-ol
CID 68530299
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl (1S)-2,2-diphenylcyclopropane-1-carboxylate
CID 11873393
cis-(1S,2R)-2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylic acid
CID 10954383
cis-(1R,2S)-2-(aminomethyl)-N,N-dimethyl-1-phenylcyclopropane-1-carboxamide
CID 3033807

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride (CID 175899155) is 1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride is Cl.NC(=O)C1(c2ccccc2)CC1N1CCCC1.
What is the InChIKey of 1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride?
The InChIKey is HZTYLNLXQXLGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O.ClH/c15-13(17)14(11-6-2-1-3-7-11)10-12(14)16-8-4-5-9-16;/h1-3,6-7,12H,4-5,8-10H2,(H2,15,17);1H.
What are the key properties of 1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride?
1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-pyrrolidin-1-ylcyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 175899155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).