trans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one

C12H18O2 — CID 102302214

IUPACtrans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one
SMILESC/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CO
InChIInChI=1S/C12H18O2/c1-2-5-10-7-8-12(14)11(10)6-3-4-9-13/h2-5,10-11,13H,6-9H2,1H3/b4-3-,5-2+/t10-,11+/m0/s1
InChIKeyFLXIBCORDRESJL-IRKLHNKTSA-N
MW194.27 g/mol
LogP2.10
Rot. Bonds4

About trans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one

trans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one (PubChem CID 102302214) has the molecular formula C12H18O2 and a molecular weight of 194.27 g/mol. Its IUPAC name is trans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one.

Molecular Properties

Compound Nametrans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one
PubChem CID102302214
Molecular FormulaC12H18O2
Molecular Weight194.27 g/mol
Exact Mass194.13
IUPAC Nametrans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one
SMILESC/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CO
InChIInChI=1S/C12H18O2/c1-2-5-10-7-8-12(14)11(10)6-3-4-9-13/h2-5,10-11,13H,6-9H2,1H3/b4-3-,5-2+/t10-,11+/m0/s1
InChIKeyFLXIBCORDRESJL-IRKLHNKTSA-N
XLogP2.10
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze trans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one with MolForge

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Launch Full Analysis

Related Compounds

(2R)-3-[(E)-but-1-enyl]-2-[(Z)-hept-2-enyl]cyclopentan-1-one;pentane
CID 142894478
trans-(2R,3R)-2-(4-hydroxybutyl)-3-[(E)-prop-1-enyl]cyclohexan-1-one
CID 11252811
trans-(2R,3R)-2-(8,8-dihydroxyoct-2-enyl)-3-oct-1-enylcyclopentan-1-one
CID 57296071
(E)-7-[2-[(E)-3-hydroxypent-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
CID 21403799
2-[(E)-but-2-enyl]-3-methylcyclopentan-1-one
CID 131233020
6-[2-(3-hydroxyhept-1-enyl)-5-oxocyclopentyl]hex-4-enoic acid
CID 54240901
(Z)-7-[(1R)-2-[(E)-oct-1-enyl]-5-oxocyclopentyl]hept-5-enenitrile
CID 142894485
(E)-7-[2-[(E)-3-hydroxyhept-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid
CID 21403711
trans-(2R,3R)-3-(4-hydroxynon-1-enyl)-2-(8-hydroxy-7-oxooct-2-enyl)cyclopentan-1-one
CID 57058496
7-[(1R,2R)-2-(7-methylocta-1,6-dienyl)-5-oxocyclopentyl]hept-5-enoic acid
CID 57217500
trans-(2R,3R)-2-hept-2-enyl-3-[4-hydroxy-4-(hydroxymethyl)octa-1,5-dienyl]cyclopentan-1-one
CID 57322756
(E)-6-[2-[(E)-3-hydroxynon-1-enyl]-5-oxocyclopentyl]hex-4-enoic acid
CID 21403780

Frequently Asked Questions

What is the IUPAC name of trans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one?
The IUPAC name of trans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one (CID 102302214) is trans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one.
What is the SMILES notation for trans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one?
The canonical SMILES for trans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one is C/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CO.
What is the InChIKey of trans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one?
The InChIKey is FLXIBCORDRESJL-IRKLHNKTSA-N. The full InChI is InChI=1S/C12H18O2/c1-2-5-10-7-8-12(14)11(10)6-3-4-9-13/h2-5,10-11,13H,6-9H2,1H3/b4-3-,5-2+/t10-,11+/m0/s1.
What are the key properties of trans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one?
trans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one has a molecular weight of 194.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,3R)-2-[(Z)-4-hydroxybut-2-enyl]-3-[(E)-prop-1-enyl]cyclopentan-1-one is sourced from PubChem (CID 102302214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).