2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene

C12H16 — CID 121009040

IUPAC2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene
SMILESCC1=CC=CCC(C)=C1C1CC1
InChIInChI=1S/C12H16/c1-9-5-3-4-6-10(2)12(9)11-7-8-11/h3-5,11H,6-8H2,1-2H3
InChIKeyAKBYPQGWRDLCAX-UHFFFAOYSA-N
MW160.26 g/mol
LogP3.62
Rot. Bonds1

About 2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene

2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene (PubChem CID 121009040) has the molecular formula C12H16 and a molecular weight of 160.26 g/mol. Its IUPAC name is 2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene
PubChem CID121009040
Molecular FormulaC12H16
Molecular Weight160.26 g/mol
Exact Mass160.13
IUPAC Name2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene
SMILESCC1=CC=CCC(C)=C1C1CC1
InChIInChI=1S/C12H16/c1-9-5-3-4-6-10(2)12(9)11-7-8-11/h3-5,11H,6-8H2,1-2H3
InChIKeyAKBYPQGWRDLCAX-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene 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

1,2,3-trimethylcyclohepta-1,3,5-triene
CID 12518377
(6E)-6-ethylidene-1-methylcyclohexa-1,3-diene
CID 169152065
3-methyl-7,7a-dihydro-1H-indene
CID 90996575
acetaldehyde;ethane;1-methylcyclopenta-1,3-diene
CID 91150107
(NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine
CID 172985783
ethane;8-methyl-3,4-dihydro-2H-cyclohepta[b]furan
CID 143900403
hafnium;bis(1-methylcyclopenta-1,3-diene)
CID 175907032
1-methylcyclopenta-1,3-diene;platinum
CID 158937285
bis(1-methylcyclopenta-1,3-diene);titanium
CID 158874137
cobalt;1-methylcyclopenta-1,3-diene
CID 161089151
5-methyl-9H-benzo[7]annulene
CID 123648201
magnesium;hydride;bis(1-methylcyclopenta-1,3-diene)
CID 173083947

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene?
The IUPAC name of 2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene (CID 121009040) is 2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene.
What is the SMILES notation for 2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene?
The canonical SMILES for 2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene is CC1=CC=CCC(C)=C1C1CC1.
What is the InChIKey of 2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene?
The InChIKey is AKBYPQGWRDLCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16/c1-9-5-3-4-6-10(2)12(9)11-7-8-11/h3-5,11H,6-8H2,1-2H3.
What are the key properties of 2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene?
2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene has a molecular weight of 160.26 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1,3-dimethylcyclohepta-1,3,5-triene is sourced from PubChem (CID 121009040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).