(3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride

C17H25ClN2O — CID 119807327

IUPAC(3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC1C(c2ccccc2)CCN1C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-12-16(13-5-3-2-4-6-13)9-10-19(12)17(20)14-7-8-15(18)11-14;/h2-6,12,14-16H,7-11,18H2,1H3;1H
InChIKeyIJCBIPPSVUCHLA-UHFFFAOYSA-N
MW308.85 g/mol
LogP2.94
Rot. Bonds2

About (3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride

(3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 119807327) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID119807327
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC Name(3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCC1C(c2ccccc2)CCN1C(=O)C1CCC(N)C1.Cl
InChIInChI=1S/C17H24N2O.ClH/c1-12-16(13-5-3-2-4-6-13)9-10-19(12)17(20)14-7-8-15(18)11-14;/h2-6,12,14-16H,7-11,18H2,1H3;1H
InChIKeyIJCBIPPSVUCHLA-UHFFFAOYSA-N
XLogP2.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1S,3R)-3-aminocyclohexyl]-[(2R,3S)-2-methyl-3-phenylpyrrolidin-1-yl]methanone
CID 125135133
(3-aminocyclopentyl)-(2-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119698902
(2-methyl-3-phenylpyrrolidin-1-yl)-piperidin-3-ylmethanone
CID 119337130
(3-aminocyclohexyl)-(3-methyl-4-phenylpiperidin-1-yl)methanone
CID 119805710
(3-aminocyclopentyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 119796383
(1-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone
CID 119337122
[(1R,3R)-3-aminocyclopentyl]-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 124678566
(3-aminocyclopentyl)-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119771459
(3-aminocyclopentyl)-[2-(4-methylphenyl)piperidin-1-yl]methanone
CID 119785073
(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 66030477
(3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119724972
(2-methyl-3-phenylpyrrolidin-1-yl)-pyridin-3-ylmethanone
CID 110868702

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride (CID 119807327) is (3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride is CC1C(c2ccccc2)CCN1C(=O)C1CCC(N)C1.Cl.
What is the InChIKey of (3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is IJCBIPPSVUCHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c1-12-16(13-5-3-2-4-6-13)9-10-19(12)17(20)14-7-8-15(18)11-14;/h2-6,12,14-16H,7-11,18H2,1H3;1H.
What are the key properties of (3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride?
(3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(2-methyl-3-phenylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 119807327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).