4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene

C12H12 — CID 142131498

IUPAC4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene
SMILESCC1=CC2C=CC=CC(=C2)C=C1
InChIInChI=1S/C12H12/c1-10-6-7-11-4-2-3-5-12(8-10)9-11/h2-9,12H,1H3
InChIKeyFKRJORDOGUALNC-UHFFFAOYSA-N
MW156.23 g/mol
LogP3.17
Rot. Bonds

About 4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene

4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene (PubChem CID 142131498) has the molecular formula C12H12 and a molecular weight of 156.23 g/mol. Its IUPAC name is 4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene.

Molecular Properties

Compound Name4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene
PubChem CID142131498
Molecular FormulaC12H12
Molecular Weight156.23 g/mol
Exact Mass156.09
IUPAC Name4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene
SMILESCC1=CC2C=CC=CC(=C2)C=C1
InChIInChI=1S/C12H12/c1-10-6-7-11-4-2-3-5-12(8-10)9-11/h2-9,12H,1H3
InChIKeyFKRJORDOGUALNC-UHFFFAOYSA-N
XLogP3.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene 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

5-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene
CID 142275224
3-methylcyclopenta-2,4-diene-1-carbaldehyde
CID 131862306
ethyl 2,2-difluoro-2-(3-methylcyclohepta-1,4,6-trien-1-yl)acetate
CID 143545774
5-methyl-1,3,3a,7a-tetrahydroinden-2-one
CID 58169662
7,8-dimethyl-7-azabicyclo[4.3.1]deca-1(10),2,4,8-tetraene
CID 143104049
5-fluoro-2,6-dimethylcyclohexa-1,3-diene
CID 89049672
6-fluoro-4-methylcyclohexa-2,4-diene-1-thione
CID 174553016
3-methylcyclohepta-1,4,6-trien-1-ol
CID 18714791
cyclopenta-2,4-dien-1-yl-dimethyl-(3-methylcyclopenta-2,4-dien-1-yl)silane
CID 101180934
3-aminocyclohepta-1,4,6-triene-1-carbaldehyde
CID 142495004
(1R,2S)-4-methylcyclohexa-3,5-diene-1,2-diol
CID 25203479
1,2,3,4-tetramethyl-8aH-naphthalene-1-carbaldehyde
CID 174770892

Frequently Asked Questions

What is the IUPAC name of 4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene?
The IUPAC name of 4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene (CID 142131498) is 4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene.
What is the SMILES notation for 4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene?
The canonical SMILES for 4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene is CC1=CC2C=CC=CC(=C2)C=C1.
What is the InChIKey of 4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene?
The InChIKey is FKRJORDOGUALNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12/c1-10-6-7-11-4-2-3-5-12(8-10)9-11/h2-9,12H,1H3.
What are the key properties of 4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene?
4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene has a molecular weight of 156.23 g/mol, XLogP of 3.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbicyclo[4.4.1]undeca-1(11),2,4,7,9-pentaene is sourced from PubChem (CID 142131498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).