4-methylpent-4-en-2-ylcyclopropane

C9H16 — CID 123136187

IUPAC4-methylpent-4-en-2-ylcyclopropane
SMILESC=C(C)CC(C)C1CC1
InChIInChI=1S/C9H16/c1-7(2)6-8(3)9-4-5-9/h8-9H,1,4-6H2,2-3H3
InChIKeyMRNHTKPYNPIFBC-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.00
Rot. Bonds3

About 4-methylpent-4-en-2-ylcyclopropane

4-methylpent-4-en-2-ylcyclopropane (PubChem CID 123136187) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 4-methylpent-4-en-2-ylcyclopropane.

Molecular Properties

Compound Name4-methylpent-4-en-2-ylcyclopropane
PubChem CID123136187
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name4-methylpent-4-en-2-ylcyclopropane
SMILESC=C(C)CC(C)C1CC1
InChIInChI=1S/C9H16/c1-7(2)6-8(3)9-4-5-9/h8-9H,1,4-6H2,2-3H3
InChIKeyMRNHTKPYNPIFBC-UHFFFAOYSA-N
XLogP3.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-methylpent-4-en-2-ylcyclopropane 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

1-cyclopropyl-3-methylbut-3-en-1-ol
CID 79179792
2-(4-methylpent-4-en-2-yl)cyclopentan-1-one
CID 15103078
3-methylbut-3-en-2-ylcyclopropane
CID 91068451
1-(4,4-difluorocyclohexyl)-3-methylbut-3-en-1-ol
CID 105110086
1-cyclohexyl-4-methylpent-4-en-2-ol
CID 115816975
ethyl 3-cyclopropylbutanoate
CID 47078610
2,4-dimethylpent-1-ene;ethane
CID 143336990
2-cyclopropylpropylcyclobutane
CID 54087952
1-cyclobutyl-4-methylpent-4-en-2-amine
CID 89233706
N-(2,3,5-trimethylhex-5-enyl)cyclopropanamine
CID 81016607
3-methyl-1-(oxan-4-yl)but-3-en-1-ol
CID 79178251
1-(4-cyclohexylpent-1-en-2-yl)-2-methylcyclohexane
CID 123703907

Frequently Asked Questions

What is the IUPAC name of 4-methylpent-4-en-2-ylcyclopropane?
The IUPAC name of 4-methylpent-4-en-2-ylcyclopropane (CID 123136187) is 4-methylpent-4-en-2-ylcyclopropane.
What is the SMILES notation for 4-methylpent-4-en-2-ylcyclopropane?
The canonical SMILES for 4-methylpent-4-en-2-ylcyclopropane is C=C(C)CC(C)C1CC1.
What is the InChIKey of 4-methylpent-4-en-2-ylcyclopropane?
The InChIKey is MRNHTKPYNPIFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-7(2)6-8(3)9-4-5-9/h8-9H,1,4-6H2,2-3H3.
What are the key properties of 4-methylpent-4-en-2-ylcyclopropane?
4-methylpent-4-en-2-ylcyclopropane has a molecular weight of 124.23 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpent-4-en-2-ylcyclopropane is sourced from PubChem (CID 123136187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).