1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene

C13H12 — CID 19967667

IUPAC1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene
SMILESC=C1C=CC=C1c1ccccc1C
InChIInChI=1S/C13H12/c1-10-6-3-4-8-12(10)13-9-5-7-11(13)2/h3-9H,2H2,1H3
InChIKeyJMVTVIYPIKLXFL-UHFFFAOYSA-N
MW168.24 g/mol
LogP3.50
Rot. Bonds1

About 1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene

1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene (PubChem CID 19967667) has the molecular formula C13H12 and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene.

Molecular Properties

Compound Name1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene
PubChem CID19967667
Molecular FormulaC13H12
Molecular Weight168.24 g/mol
Exact Mass168.09
IUPAC Name1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene
SMILESC=C1C=CC=C1c1ccccc1C
InChIInChI=1S/C13H12/c1-10-6-3-4-8-12(10)13-9-5-7-11(13)2/h3-9H,2H2,1H3
InChIKeyJMVTVIYPIKLXFL-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene?
The IUPAC name of 1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene (CID 19967667) is 1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene.
What is the SMILES notation for 1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene?
The canonical SMILES for 1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene is C=C1C=CC=C1c1ccccc1C.
What is the InChIKey of 1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene?
The InChIKey is JMVTVIYPIKLXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12/c1-10-6-3-4-8-12(10)13-9-5-7-11(13)2/h3-9H,2H2,1H3.
What are the key properties of 1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene?
1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene has a molecular weight of 168.24 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(5-methylidenecyclopenta-1,3-dien-1-yl)benzene is sourced from PubChem (CID 19967667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).