1-cyclopenta-2,4-dien-1-ylcycloheptene

C12H16 — CID 163288981

IUPAC1-cyclopenta-2,4-dien-1-ylcycloheptene
SMILESC1=CC(C2=CCCCCC2)C=C1
InChIInChI=1S/C12H16/c1-2-4-8-11(7-3-1)12-9-5-6-10-12/h5-7,9-10,12H,1-4,8H2
InChIKeyUTSPLGIDLUICPE-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.62
Rot. Bonds1

About 1-cyclopenta-2,4-dien-1-ylcycloheptene

1-cyclopenta-2,4-dien-1-ylcycloheptene (PubChem CID 163288981) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 1-cyclopenta-2,4-dien-1-ylcycloheptene.

Molecular Properties

Compound Name1-cyclopenta-2,4-dien-1-ylcycloheptene
PubChem CID163288981
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name1-cyclopenta-2,4-dien-1-ylcycloheptene
SMILESC1=CC(C2=CCCCCC2)C=C1
InChIInChI=1S/C12H16/c1-2-4-8-11(7-3-1)12-9-5-6-10-12/h5-7,9-10,12H,1-4,8H2
InChIKeyUTSPLGIDLUICPE-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-cyclopenta-2,4-dien-1-ylcycloheptene 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

Sesquiphellandrene
CID 519764
beta-Sesquiphellandrene
CID 12315492
(+)-beta-Sesquiphellandrene
CID 11106487
1,4-Dimethyl-7-(propan-2-yl)-1,2,3,4,5,6-hexahydroazulene
CID 15560254
Cyclopentene, 1-(3-methylbutyl)-
CID 142186
Cyclopentene, 1-(2-methylpropyl)-
CID 143006
Guaia-4,6-diene
CID 13856912
3-[(2S)-6-methylhept-5-en-2-yl]-6-methylidenecyclohexene
CID 5321277
Clavukerin A
CID 10888240
Isoclavukerin
CID 342376
(8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,2,6,7,8,8a-hexahydroazulene
CID 13856913
(1S,4S)-1,4-dimethyl-7-propan-2-yl-1,2,3,4,5,6-hexahydroazulene
CID 15560255

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-2,4-dien-1-ylcycloheptene?
The IUPAC name of 1-cyclopenta-2,4-dien-1-ylcycloheptene (CID 163288981) is 1-cyclopenta-2,4-dien-1-ylcycloheptene.
What is the SMILES notation for 1-cyclopenta-2,4-dien-1-ylcycloheptene?
The canonical SMILES for 1-cyclopenta-2,4-dien-1-ylcycloheptene is C1=CC(C2=CCCCCC2)C=C1.
What is the InChIKey of 1-cyclopenta-2,4-dien-1-ylcycloheptene?
The InChIKey is UTSPLGIDLUICPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-2-4-8-11(7-3-1)12-9-5-6-10-12/h5-7,9-10,12H,1-4,8H2.
What are the key properties of 1-cyclopenta-2,4-dien-1-ylcycloheptene?
1-cyclopenta-2,4-dien-1-ylcycloheptene has a molecular weight of 160.26 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-2,4-dien-1-ylcycloheptene is sourced from PubChem (CID 163288981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).