(2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone

C16H21NO2 — CID 110014366

IUPAC(2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCCC1O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H21NO2/c18-15-8-4-7-14(15)16(19)17-10-9-13(11-17)12-5-2-1-3-6-12/h1-3,5-6,13-15,18H,4,7-11H2
InChIKeyWRGJSMPNMKUKQH-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.16
Rot. Bonds2

About (2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone

(2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone (PubChem CID 110014366) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone
PubChem CID110014366
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone
SMILESO=C(C1CCCC1O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C16H21NO2/c18-15-8-4-7-14(15)16(19)17-10-9-13(11-17)12-5-2-1-3-6-12/h1-3,5-6,13-15,18H,4,7-11H2
InChIKeyWRGJSMPNMKUKQH-UHFFFAOYSA-N
XLogP2.16
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-phenylcyclopropyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 5331349
phenyl-(3-phenylpyrrolidin-1-yl)methanone
CID 6422044
(2-hydroxycyclopentyl)-[3-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 110015914
trans-(1R,3R)-3-[(3S)-3-phenylpyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 124778341
(4-aminooxolan-3-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 66236076
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
5-(3-phenylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688432
[(1S,3R)-3-phenylcyclopentyl]-[(3R)-3-phenylpyrrolidin-1-yl]methanone;hydrochloride
CID 161457507
(2-hydroxycyclopentyl)-(4-phenylpiperazin-1-yl)methanone
CID 110013572
(3-aminocyclohexyl)-(3-phenylpyrrolidin-1-yl)methanone;hydrochloride
CID 119724972
1,3-dihydroisoindol-2-yl-(2-hydroxycyclopentyl)methanone
CID 110015718
4-oxo-4-(3-phenylpyrrolidin-1-yl)but-2-enoic acid
CID 74894511

Frequently Asked Questions

What is the IUPAC name of (2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone (CID 110014366) is (2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone is O=C(C1CCCC1O)N1CCC(c2ccccc2)C1.
What is the InChIKey of (2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone?
The InChIKey is WRGJSMPNMKUKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c18-15-8-4-7-14(15)16(19)17-10-9-13(11-17)12-5-2-1-3-6-12/h1-3,5-6,13-15,18H,4,7-11H2.
What are the key properties of (2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone?
(2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxycyclopentyl)-(3-phenylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 110014366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).