4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one

C15H22O3 — CID 155522347

IUPAC4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one
SMILESCC1=C(C[C@@H]2/C(=C(/C)CO)CC[C@@H]2C)C(=O)OC1
InChIInChI=1S/C15H22O3/c1-9-4-5-12(10(2)7-16)13(9)6-14-11(3)8-18-15(14)17/h9,13,16H,4-8H2,1-3H3/b12-10-/t9-,13-/m0/s1
InChIKeyFEYHJZQCAXJZPK-YTLWUZPKSA-N
MW250.34 g/mol
LogP2.60
Rot. Bonds3

About 4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one

4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one (PubChem CID 155522347) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one.

Molecular Properties

Compound Name4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one
PubChem CID155522347
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one
SMILESCC1=C(C[C@@H]2/C(=C(/C)CO)CC[C@@H]2C)C(=O)OC1
InChIInChI=1S/C15H22O3/c1-9-4-5-12(10(2)7-16)13(9)6-14-11(3)8-18-15(14)17/h9,13,16H,4-8H2,1-3H3/b12-10-/t9-,13-/m0/s1
InChIKeyFEYHJZQCAXJZPK-YTLWUZPKSA-N
XLogP2.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Lactaronecatorin A
CID 10015003
Irlactin I
CID 146684319
Methyl hydrogen bicyclo(2.2.1)hept-2-ene-2,3-dicarboxylate
CID 13265889
4-[(2R)-2-(3,3-dimethylcyclopenten-1-yl)propyl]-3-(hydroxymethyl)-2H-furan-5-one
CID 12040221
Dihydroepiheveadride
CID 10065465
Blennin C
CID 14412879
Irlactin J
CID 146684320
4-[(2S)-2-(4,4-dimethylcyclopenten-1-yl)propyl]-3-(hydroxymethyl)-2H-furan-5-one
CID 162998665
(5aS,8aR,9S)-9-hydroxy-7,7-dimethyl-5-methylidene-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]furan-3-one
CID 163055624
Ethyl 8-hydroxy-7-methylspiro[4.5]dec-6-ene-6-carboxylate
CID 68725948
4-[2-[(1S,2R)-1-(hydroxymethyl)-2-methyl-5-oxocyclopentyl]ethyl]-3-methyl-2H-furan-5-one
CID 134953550
6-[[3-(hydroxymethyl)-5-oxo-2H-furan-4-yl]methyl]-5,6-dimethylcyclohexene-1-carboxylic acid
CID 154812574

Frequently Asked Questions

What is the IUPAC name of 4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one?
The IUPAC name of 4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one (CID 155522347) is 4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one.
What is the SMILES notation for 4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one?
The canonical SMILES for 4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one is CC1=C(C[C@@H]2/C(=C(/C)CO)CC[C@@H]2C)C(=O)OC1.
What is the InChIKey of 4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one?
The InChIKey is FEYHJZQCAXJZPK-YTLWUZPKSA-N. The full InChI is InChI=1S/C15H22O3/c1-9-4-5-12(10(2)7-16)13(9)6-14-11(3)8-18-15(14)17/h9,13,16H,4-8H2,1-3H3/b12-10-/t9-,13-/m0/s1.
What are the key properties of 4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one?
4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one has a molecular weight of 250.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1S,2Z,5S)-2-(1-hydroxypropan-2-ylidene)-5-methylcyclopentyl]methyl]-3-methyl-2H-furan-5-one is sourced from PubChem (CID 155522347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).