1-methyl-2-propylcyclopentene

C9H16 — CID 523539

IUPAC1-methyl-2-propylcyclopentene
SMILESCCCC1=C(C)CCC1
InChIInChI=1S/C9H16/c1-3-5-9-7-4-6-8(9)2/h3-7H2,1-2H3
InChIKeyYXPWZTOAXPIENE-UHFFFAOYSA-N
MW124.23 g/mol
LogP3.29
Rot. Bonds2

About 1-methyl-2-propylcyclopentene

1-methyl-2-propylcyclopentene (PubChem CID 523539) has the molecular formula C9H16 and a molecular weight of 124.23 g/mol. Its IUPAC name is 1-methyl-2-propylcyclopentene.

Molecular Properties

Compound Name1-methyl-2-propylcyclopentene
PubChem CID523539
Molecular FormulaC9H16
Molecular Weight124.23 g/mol
Exact Mass124.13
IUPAC Name1-methyl-2-propylcyclopentene
SMILESCCCC1=C(C)CCC1
InChIInChI=1S/C9H16/c1-3-5-9-7-4-6-8(9)2/h3-7H2,1-2H3
InChIKeyYXPWZTOAXPIENE-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.23
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-2-propylcyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propylcyclopentene?
The IUPAC name of 1-methyl-2-propylcyclopentene (CID 523539) is 1-methyl-2-propylcyclopentene.
What is the SMILES notation for 1-methyl-2-propylcyclopentene?
The canonical SMILES for 1-methyl-2-propylcyclopentene is CCCC1=C(C)CCC1.
What is the InChIKey of 1-methyl-2-propylcyclopentene?
The InChIKey is YXPWZTOAXPIENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16/c1-3-5-9-7-4-6-8(9)2/h3-7H2,1-2H3.
What are the key properties of 1-methyl-2-propylcyclopentene?
1-methyl-2-propylcyclopentene has a molecular weight of 124.23 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propylcyclopentene is sourced from PubChem (CID 523539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).