1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile

C19H24N2O2 — CID 111472289

IUPAC1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCCC2CC(O)c2ccccc2)CCCC1
InChIInChI=1S/C19H24N2O2/c20-14-19(10-4-5-11-19)18(23)21-12-6-9-16(21)13-17(22)15-7-2-1-3-8-15/h1-3,7-8,16-17,22H,4-6,9-13H2
InChIKeyFCEIPDUKQYUJNO-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.19
Rot. Bonds4

About 1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile

1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile (PubChem CID 111472289) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
PubChem CID111472289
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCCC2CC(O)c2ccccc2)CCCC1
InChIInChI=1S/C19H24N2O2/c20-14-19(10-4-5-11-19)18(23)21-12-6-9-16(21)13-17(22)15-7-2-1-3-8-15/h1-3,7-8,16-17,22H,4-6,9-13H2
InChIKeyFCEIPDUKQYUJNO-UHFFFAOYSA-N
XLogP3.19
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(R)-2-((E)-3-Hydroxy-3-phenyl-propenyl)-5-oxo-pyrrolidin-1-yl]-heptanoic acid
CID 44289969
2-(2-Hydroxy-2-phenylethyl)-2-azaspiro[4.4]nonane-1,3-dione
CID 42884883
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylhexanamide
CID 15337648
3-[2-(2-Hydroxy-2-phenylethyl)pyrrolidin-1-yl]-1-methylpyrrolidin-2-one
CID 71988536
7-{2-[4-(4-Fluoro-phenyl)-3-hydroxy-butyl]-5-oxo-pyrrolidin-1-yl}heptanenitrile
CID 22718763
7-{2-[4-(3-Fluoro-phenyl)-3-hydroxy-butyl]-5-oxo-pyrrolidin-1-yl}-heptanenitrile
CID 22718769
7-[(2R)-2-[(3S)-3-hydroxy-4-[3-(trifluoromethyl)phenyl]but-1-enyl]-5-oxopyrrolidin-1-yl]heptanenitrile
CID 69866459
3-Hydroxy-2-methyl-3-phenyl-1-pyrrolidin-1-ylpropan-1-one
CID 338410
(2R)-2-ethyl-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylpent-4-enamide
CID 134998857
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,3,3-trimethylbutanamide
CID 135079184
(3S)-3-hydroxy-3-phenyl-N,N-di(propan-2-yl)propanamide
CID 164680470
4-[(2R)-2-[(E)-4,4-difluoro-3-hydroxy-4-phenylbut-1-enyl]-5-oxopyrrolidin-1-yl]butanenitrile
CID 10382216

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile (CID 111472289) is 1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile is N#CC1(C(=O)N2CCCC2CC(O)c2ccccc2)CCCC1.
What is the InChIKey of 1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile?
The InChIKey is FCEIPDUKQYUJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c20-14-19(10-4-5-11-19)18(23)21-12-6-9-16(21)13-17(22)15-7-2-1-3-8-15/h1-3,7-8,16-17,22H,4-6,9-13H2.
What are the key properties of 1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile?
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile has a molecular weight of 312.41 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 111472289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).