1-methyl-2-pent-1-en-3-ylcyclopropane

C9H16 — CID 91325896

IUPAC1-methyl-2-pent-1-en-3-ylcyclopropane
SMILESC=CC(CC)C1CC1C
InChIInChI=1S/C9H16/c1-4-8(5-2)9-6-7(9)3/h4,7-9H,1,5-6H2,2-3H3
InChIKeyGVQDVRQUVTYILM-UHFFFAOYSA-N
MW124.23 g/mol
LogP2.85
Rot. Bonds3

About 1-methyl-2-pent-1-en-3-ylcyclopropane

1-methyl-2-pent-1-en-3-ylcyclopropane (PubChem CID 91325896) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-methyl-2-pent-1-en-3-ylcyclopropane.

Molecular Properties

Compound Name1-methyl-2-pent-1-en-3-ylcyclopropane
PubChem CID91325896
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-methyl-2-pent-1-en-3-ylcyclopropane
SMILESC=CC(CC)C1CC1C
InChIInChI=1S/C9H16/c1-4-8(5-2)9-6-7(9)3/h4,7-9H,1,5-6H2,2-3H3
InChIKeyGVQDVRQUVTYILM-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-2-pent-1-en-3-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

4-methyl-1-methylidene-2-pent-1-en-3-ylcyclopentane
CID 163877096
1-(3-ethylpentan-2-yl)-2-methylcyclopropane
CID 91445578
1-(6-ethenylundecan-5-yl)-2-methylcyclopropane
CID 123814770
2-butan-2-yl-4,5-dimethylcyclohexan-1-ol
CID 58534205
1-(1-chloropropyl)-2,3-dimethylcyclobutane
CID 131133771
N-methyl-1-(2-methylcyclopropyl)but-3-en-1-amine
CID 65422775
1-methyl-2-(5-methylhexan-2-yl)cyclopropane
CID 91344454
CID 18366418
CID 18366418
(1S,2S,4S,5R)-2-[(2R)-but-3-en-2-yl]-4-ethyl-5-methylcyclohexan-1-ol
CID 158468471
2-pent-1-en-3-yl-2,3-dihydro-1H-indene
CID 174911971
1-(2-methylcyclopropyl)hex-5-en-1-amine
CID 65420400
1-butan-2-yl-2,4-ditert-butyl-5-methylcyclohexane
CID 144658339

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-pent-1-en-3-ylcyclopropane?
The IUPAC name of 1-methyl-2-pent-1-en-3-ylcyclopropane (CID 91325896) is 1-methyl-2-pent-1-en-3-ylcyclopropane.
What is the SMILES notation for 1-methyl-2-pent-1-en-3-ylcyclopropane?
The canonical SMILES for 1-methyl-2-pent-1-en-3-ylcyclopropane is C=CC(CC)C1CC1C.
What is the InChIKey of 1-methyl-2-pent-1-en-3-ylcyclopropane?
The InChIKey is GVQDVRQUVTYILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-4-8(5-2)9-6-7(9)3/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 1-methyl-2-pent-1-en-3-ylcyclopropane?
1-methyl-2-pent-1-en-3-ylcyclopropane has a molecular weight of 124.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-pent-1-en-3-ylcyclopropane is sourced from PubChem (CID 91325896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).