(4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one

C16H13NO3 — CID 178074847

IUPAC(4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one
SMILESO=C1C=C(/C=C/c2cnc3ccccc3c2)[C@H](O)[C@H]1O
InChIInChI=1S/C16H13NO3/c18-14-8-12(15(19)16(14)20)6-5-10-7-11-3-1-2-4-13(11)17-9-10/h1-9,15-16,19-20H/b6-5+/t15-,16-/m0/s1
InChIKeyNRONOVCDFYADNW-DKLOGILVSA-N
MW267.28 g/mol
LogP1.48
Rot. Bonds2

About (4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one

(4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one (PubChem CID 178074847) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one
PubChem CID178074847
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one
SMILESO=C1C=C(/C=C/c2cnc3ccccc3c2)[C@H](O)[C@H]1O
InChIInChI=1S/C16H13NO3/c18-14-8-12(15(19)16(14)20)6-5-10-7-11-3-1-2-4-13(11)17-9-10/h1-9,15-16,19-20H/b6-5+/t15-,16-/m0/s1
InChIKeyNRONOVCDFYADNW-DKLOGILVSA-N
XLogP1.48
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one with MolForge

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Related Compounds

3-(2-pyridin-2-ylethenyl)quinoline
CID 66775242
3-[(Z)-2-naphthalen-2-ylethenyl]quinoline
CID 11300516
(E)-3-quinolin-3-ylprop-2-enoate
CID 6986523
(E)-2-methyl-4-quinolin-3-ylbut-3-en-2-ol
CID 134838021
ethane;(E)-3-quinolin-3-ylprop-2-en-1-ol
CID 142035517
3-[(E)-2-(6-methyl-1,2,4,5-tetrazin-3-yl)ethenyl]quinoline
CID 122450322
3-[(E)-2-methoxyethenyl]quinoline
CID 13227319
N-[[(E)-2-quinolin-3-ylethenyl]amino]formamide
CID 20696184
(E)-1-(4-methoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 10935131
(E)-1-(4-ethoxyphenyl)-3-quinolin-3-ylprop-2-en-1-one
CID 11833608
quinoline-3-carbaldehyde;quinolin-3-ylmethanol
CID 87606996
3-[(E)-3,3-dimethoxyprop-1-enyl]quinoline
CID 59873189

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one?
The IUPAC name of (4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one (CID 178074847) is (4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one.
What is the SMILES notation for (4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one?
The canonical SMILES for (4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one is O=C1C=C(/C=C/c2cnc3ccccc3c2)[C@H](O)[C@H]1O.
What is the InChIKey of (4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one?
The InChIKey is NRONOVCDFYADNW-DKLOGILVSA-N. The full InChI is InChI=1S/C16H13NO3/c18-14-8-12(15(19)16(14)20)6-5-10-7-11-3-1-2-4-13(11)17-9-10/h1-9,15-16,19-20H/b6-5+/t15-,16-/m0/s1.
What are the key properties of (4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one?
(4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one has a molecular weight of 267.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4,5-dihydroxy-3-[(E)-2-quinolin-3-ylethenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 178074847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).