3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one

C11H14O — CID 144994439

IUPAC3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one
SMILESC=CC(=C)/C=C/C1CCC(=O)C1
InChIInChI=1S/C11H14O/c1-3-9(2)4-5-10-6-7-11(12)8-10/h3-5,10H,1-2,6-8H2/b5-4+
InChIKeyZAPNROSMMFSYKR-SNAWJCMRSA-N
MW162.23 g/mol
LogP2.65
Rot. Bonds3

About 3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one

3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one (PubChem CID 144994439) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one
PubChem CID144994439
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one
SMILESC=CC(=C)/C=C/C1CCC(=O)C1
InChIInChI=1S/C11H14O/c1-3-9(2)4-5-10-6-7-11(12)8-10/h3-5,10H,1-2,6-8H2/b5-4+
InChIKeyZAPNROSMMFSYKR-SNAWJCMRSA-N
XLogP2.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(3-oxocyclopentyl)prop-2-enoate
CID 85320730
methyl (Z)-3-(3-oxocyclopentyl)prop-2-enoate
CID 131243033
3-ethenylcyclopentadecan-1-one
CID 11345719
3-[N-ethenyl-C-[(Z)-prop-1-enyl]carbonimidoyl]cyclopentan-1-one
CID 178137938
methyl 3-(3,4-dioxocyclohexyl)prop-2-enoate
CID 123173978
(3S)-3-[(E)-4-[3,4-bis(ethenyl)phenyl]-3-hydroxybut-1-enyl]cyclopentan-1-one
CID 144962091
3-[(E)-but-2-en-2-yl]cyclopentan-1-one
CID 15881779
(3S)-3-[(E)-3-hydroxyoct-1-enyl]cyclopentan-1-one
CID 167022236
CID 59102215
CID 59102215
3-oxocyclopentane-1-carboxylic acid
CID 175785263
(3S)-3-hex-5-enylcyclopentan-1-one
CID 11159527
2-prop-2-enyl-1,2,3,3a,4,6,7,7a-octahydroinden-5-one
CID 70630753

Frequently Asked Questions

What is the IUPAC name of 3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one?
The IUPAC name of 3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one (CID 144994439) is 3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one.
What is the SMILES notation for 3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one?
The canonical SMILES for 3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one is C=CC(=C)/C=C/C1CCC(=O)C1.
What is the InChIKey of 3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one?
The InChIKey is ZAPNROSMMFSYKR-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H14O/c1-3-9(2)4-5-10-6-7-11(12)8-10/h3-5,10H,1-2,6-8H2/b5-4+.
What are the key properties of 3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one?
3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one has a molecular weight of 162.23 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E)-3-methylidenepenta-1,4-dienyl]cyclopentan-1-one is sourced from PubChem (CID 144994439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).