3-methyl-1-propylcyclopenta-1,3-diene

C9H14 — CID 18314972

IUPAC3-methyl-1-propylcyclopenta-1,3-diene
SMILESCCCC1=CC(C)=CC1
InChIInChI=1S/C9H14/c1-3-4-9-6-5-8(2)7-9/h5,7H,3-4,6H2,1-2H3
InChIKeyMCGIBMJIZPHDOW-UHFFFAOYSA-N
MW122.21 g/mol
LogP3.06
Rot. Bonds2

About 3-methyl-1-propylcyclopenta-1,3-diene

3-methyl-1-propylcyclopenta-1,3-diene (PubChem CID 18314972) has the molecular formula C9H14 and a molecular weight of 122.21 g/mol. Its IUPAC name is 3-methyl-1-propylcyclopenta-1,3-diene.

Molecular Properties

Compound Name3-methyl-1-propylcyclopenta-1,3-diene
PubChem CID18314972
Molecular FormulaC9H14
Molecular Weight122.21 g/mol
Exact Mass122.11
IUPAC Name3-methyl-1-propylcyclopenta-1,3-diene
SMILESCCCC1=CC(C)=CC1
InChIInChI=1S/C9H14/c1-3-4-9-6-5-8(2)7-9/h5,7H,3-4,6H2,1-2H3
InChIKeyMCGIBMJIZPHDOW-UHFFFAOYSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.21
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 3-methyl-1-propylcyclopenta-1,3-diene 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 3-methyl-1-propylcyclopenta-1,3-diene?
The IUPAC name of 3-methyl-1-propylcyclopenta-1,3-diene (CID 18314972) is 3-methyl-1-propylcyclopenta-1,3-diene.
What is the SMILES notation for 3-methyl-1-propylcyclopenta-1,3-diene?
The canonical SMILES for 3-methyl-1-propylcyclopenta-1,3-diene is CCCC1=CC(C)=CC1.
What is the InChIKey of 3-methyl-1-propylcyclopenta-1,3-diene?
The InChIKey is MCGIBMJIZPHDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14/c1-3-4-9-6-5-8(2)7-9/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 3-methyl-1-propylcyclopenta-1,3-diene?
3-methyl-1-propylcyclopenta-1,3-diene has a molecular weight of 122.21 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propylcyclopenta-1,3-diene is sourced from PubChem (CID 18314972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).