(4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one

C11H16O — CID 42643548

IUPAC(4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one
SMILESC=CCCC[C@]1(C)C=CC(=O)C1
InChIInChI=1S/C11H16O/c1-3-4-5-7-11(2)8-6-10(12)9-11/h3,6,8H,1,4-5,7,9H2,2H3/t11-/m1/s1
InChIKeyMVLKUMTYCMYYDA-LLVKDONJSA-N
MW164.25 g/mol
LogP2.88
Rot. Bonds4

About (4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one

(4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one (PubChem CID 42643548) has the molecular formula C11H16O and a molecular weight of 164.25 g/mol. Its IUPAC name is (4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one.

Molecular Properties

Compound Name(4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one
PubChem CID42643548
Molecular FormulaC11H16O
Molecular Weight164.25 g/mol
Exact Mass164.12
IUPAC Name(4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one
SMILESC=CCCC[C@]1(C)C=CC(=O)C1
InChIInChI=1S/C11H16O/c1-3-4-5-7-11(2)8-6-10(12)9-11/h3,6,8H,1,4-5,7,9H2,2H3/t11-/m1/s1
InChIKeyMVLKUMTYCMYYDA-LLVKDONJSA-N
XLogP2.88
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-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

tert-butyl (E)-7-(1-methyl-4-oxocyclopent-2-en-1-yl)-3-oxohept-4-enoate
CID 11109096
4-[5-[tert-butyl(diphenyl)silyl]oxypentyl]-4-methylcyclopent-2-en-1-one
CID 11091100
methyl 2-(1-methyl-4-oxocyclopent-2-en-1-yl)acetate
CID 13163800
methyl (1S,6R)-1-methyl-4-oxo-6-pent-4-enylcyclohex-2-ene-1-carboxylate
CID 11390720
1-pent-4-enylpyrrole-2,5-dione
CID 15519463
1-pent-4-enylcyclopropane-1-carbaldehyde
CID 126997266
(4S)-4-hexadecyl-4-hydroxycyclopent-2-en-1-one
CID 101350451
5-ethenyl-4,4-dimethoxycyclohex-2-en-1-one
CID 14400674
3-[(1E)-hepta-1,6-dienyl]-5,5-dimethylcyclopent-2-en-1-one
CID 14662904
4-(chloromethyl)-4-pent-4-enylcyclopentene
CID 165443647
6,6-dimethylcyclohept-2-ene-1,4-dione
CID 70336025
2,5,5-trimethyl-2-pent-4-enyl-1,3-dioxane
CID 55275489

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one?
The IUPAC name of (4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one (CID 42643548) is (4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one.
What is the SMILES notation for (4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one?
The canonical SMILES for (4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one is C=CCCC[C@]1(C)C=CC(=O)C1.
What is the InChIKey of (4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one?
The InChIKey is MVLKUMTYCMYYDA-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16O/c1-3-4-5-7-11(2)8-6-10(12)9-11/h3,6,8H,1,4-5,7,9H2,2H3/t11-/m1/s1.
What are the key properties of (4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one?
(4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one has a molecular weight of 164.25 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methyl-4-pent-4-enylcyclopent-2-en-1-one is sourced from PubChem (CID 42643548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).