1-but-2-enylidene-2-prop-1-enylcyclopentane

C12H18 — CID 131859563

IUPAC1-but-2-enylidene-2-prop-1-enylcyclopentane
SMILESCC=CC=C1CCCC1C=CC
InChIInChI=1S/C12H18/c1-3-5-8-12-10-6-9-11(12)7-4-2/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKeyIEWXRASZOPVSSN-UHFFFAOYSA-N
MW162.28 g/mol
LogP3.87
Rot. Bonds2

About 1-but-2-enylidene-2-prop-1-enylcyclopentane

1-but-2-enylidene-2-prop-1-enylcyclopentane (PubChem CID 131859563) has the molecular formula C12H18 and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-but-2-enylidene-2-prop-1-enylcyclopentane.

Molecular Properties

Compound Name1-but-2-enylidene-2-prop-1-enylcyclopentane
PubChem CID131859563
Molecular FormulaC12H18
Molecular Weight162.28 g/mol
Exact Mass162.14
IUPAC Name1-but-2-enylidene-2-prop-1-enylcyclopentane
SMILESCC=CC=C1CCCC1C=CC
InChIInChI=1S/C12H18/c1-3-5-8-12-10-6-9-11(12)7-4-2/h3-5,7-8,11H,6,9-10H2,1-2H3
InChIKeyIEWXRASZOPVSSN-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-but-2-enylidene-2-prop-1-enylcyclopentane 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

(1E)-1-[(E)-but-2-enylidene]-2-(2-methylprop-1-enyl)cyclohexane
CID 102151765
(2E)-2-[(Z)-but-2-enylidene]-N-methylcyclohexan-1-amine
CID 142040872
3-[(E)-prop-1-enyl]azepan-2-one
CID 153399753
(1E,2S)-1-ethylidene-2-methylcyclohexane
CID 148695286
(1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecyclohexane;ethane
CID 142131776
(1Z,2Z)-1-[(Z)-but-2-enylidene]-2-ethylidenecycloheptane;ethane
CID 143536598
prop-1-enylcyclododecane
CID 139760926
(1E)-1-(3-methylbut-2-enylidene)-2-(2-methylprop-1-enyl)cyclohexane
CID 10242027
2-methylidene-3-[(Z)-prop-1-enyl]cyclopentan-1-one
CID 5384425
2-but-2-enylidenecyclododecan-1-one
CID 72612267
(1Z)-1-[(Z)-but-2-enylidene]-2-methylidenecyclopentane;ethane
CID 143072942
1-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1H-indene
CID 142636500

Frequently Asked Questions

What is the IUPAC name of 1-but-2-enylidene-2-prop-1-enylcyclopentane?
The IUPAC name of 1-but-2-enylidene-2-prop-1-enylcyclopentane (CID 131859563) is 1-but-2-enylidene-2-prop-1-enylcyclopentane.
What is the SMILES notation for 1-but-2-enylidene-2-prop-1-enylcyclopentane?
The canonical SMILES for 1-but-2-enylidene-2-prop-1-enylcyclopentane is CC=CC=C1CCCC1C=CC.
What is the InChIKey of 1-but-2-enylidene-2-prop-1-enylcyclopentane?
The InChIKey is IEWXRASZOPVSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18/c1-3-5-8-12-10-6-9-11(12)7-4-2/h3-5,7-8,11H,6,9-10H2,1-2H3.
What are the key properties of 1-but-2-enylidene-2-prop-1-enylcyclopentane?
1-but-2-enylidene-2-prop-1-enylcyclopentane has a molecular weight of 162.28 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-2-enylidene-2-prop-1-enylcyclopentane is sourced from PubChem (CID 131859563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).