cyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone

C16H20N2O2 — CID 97470538

IUPACcyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC=CC1)N1CC[C@@H](O)[C@H]1Cc1cccnc1
InChIInChI=1S/C16H20N2O2/c19-15-7-9-18(16(20)13-5-1-2-6-13)14(15)10-12-4-3-8-17-11-12/h1-4,8,11,13-15,19H,5-7,9-10H2/t14-,15-/m1/s1
InChIKeyIKVSYUKEDIXNQU-HUUCEWRRSA-N
MW272.35 g/mol
LogP1.55
Rot. Bonds3

About cyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone

cyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 97470538) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID97470538
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Namecyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CC=CC1)N1CC[C@@H](O)[C@H]1Cc1cccnc1
InChIInChI=1S/C16H20N2O2/c19-15-7-9-18(16(20)13-5-1-2-6-13)14(15)10-12-4-3-8-17-11-12/h1-4,8,11,13-15,19H,5-7,9-10H2/t14-,15-/m1/s1
InChIKeyIKVSYUKEDIXNQU-HUUCEWRRSA-N
XLogP1.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3'-Hydroxycotinine, trans-
CID 107963
3-Hydroxycotinine
CID 10219774
rac-(2R,3R)-1-methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid
CID 671220
2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-
CID 414
(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol
CID 12960088
[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 12960091
[(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 12960092
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
1-(2-Cyclohexyl-2-oxo-acetyl)-pyrrolidine-2-carboxylic acid 3-pyridin-3-yl-propyl ester
CID 44365152
4-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one
CID 24761259
3-[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]pyridine
CID 44345019
[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl] acetate
CID 44345077

Frequently Asked Questions

What is the IUPAC name of cyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone (CID 97470538) is cyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone is O=C(C1CC=CC1)N1CC[C@@H](O)[C@H]1Cc1cccnc1.
What is the InChIKey of cyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is IKVSYUKEDIXNQU-HUUCEWRRSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15-7-9-18(16(20)13-5-1-2-6-13)14(15)10-12-4-3-8-17-11-12/h1-4,8,11,13-15,19H,5-7,9-10H2/t14-,15-/m1/s1.
What are the key properties of cyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone?
cyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 272.35 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[(2R,3R)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 97470538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).