[(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone

C16H20N2O2 — CID 151180874

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone
SMILESO=C(C1CC=C(c2cccnc2)CC1)N1CC[C@H](O)C1
InChIInChI=1S/C16H20N2O2/c19-15-7-9-18(11-15)16(20)13-5-3-12(4-6-13)14-2-1-8-17-10-14/h1-3,8,10,13,15,19H,4-7,9,11H2/t13?,15-/m0/s1
InChIKeyNEGNSYLOCJUUPR-WUJWULDRSA-N
MW272.35 g/mol
LogP1.86
Rot. Bonds2

About [(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone

[(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone (PubChem CID 151180874) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone
PubChem CID151180874
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone
SMILESO=C(C1CC=C(c2cccnc2)CC1)N1CC[C@H](O)C1
InChIInChI=1S/C16H20N2O2/c19-15-7-9-18(11-15)16(20)13-5-3-12(4-6-13)14-2-1-8-17-10-14/h1-3,8,10,13,15,19H,4-7,9,11H2/t13?,15-/m0/s1
InChIKeyNEGNSYLOCJUUPR-WUJWULDRSA-N
XLogP1.86
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone with MolForge

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Related Compounds

tert-butyl 4-[[2-fluoro-4-[4-[(3S)-3-hydroxypyrrolidine-1-carbonyl]cyclohexen-1-yl]phenoxy]methyl]piperidine-1-carboxylate
CID 126640250
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-pyrimidin-2-ylpiperidin-4-yl)methanone
CID 111561597
[4-(4-hydroxypiperidin-1-yl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 56903217
5-[(3S)-3-hydroxypyrrolidine-1-carbonyl]piperidin-2-one
CID 103745537
[(3R)-3-hydroxypiperidin-1-yl]-[(2S)-1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone
CID 100679012
(3-hydroxypiperidin-1-yl)-[1-(pyridin-3-ylmethyl)piperidin-2-yl]methanone
CID 119032652
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
cyclohexyl-[(3S)-3-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]methanone
CID 51137840
cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381
(4-chloro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103873753
(3-hydroxyazetidin-1-yl)-pyridin-3-ylmethanone
CID 63106557
tert-butyl 4-pyridin-3-yl-3,6-dihydro-2H-pyridine-1-carboxylate
CID 58913408

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone (CID 151180874) is [(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone is O=C(C1CC=C(c2cccnc2)CC1)N1CC[C@H](O)C1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone?
The InChIKey is NEGNSYLOCJUUPR-WUJWULDRSA-N. The full InChI is InChI=1S/C16H20N2O2/c19-15-7-9-18(11-15)16(20)13-5-3-12(4-6-13)14-2-1-8-17-10-14/h1-3,8,10,13,15,19H,4-7,9,11H2/t13?,15-/m0/s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone?
[(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone has a molecular weight of 272.35 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-(4-pyridin-3-ylcyclohex-3-en-1-yl)methanone is sourced from PubChem (CID 151180874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).