1,4-dimethyl-7-prop-1-en-2-ylazulene

C15H16 — CID 3083592

IUPAC1,4-dimethyl-7-prop-1-en-2-ylazulene
SMILESC=C(C)c1ccc(C)c2ccc(C)c-2c1
InChIInChI=1S/C15H16/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-9H,1H2,2-4H3
InChIKeyKFLXZUPIDNPCSD-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.44
Rot. Bonds1

About 1,4-dimethyl-7-prop-1-en-2-ylazulene

1,4-dimethyl-7-prop-1-en-2-ylazulene (PubChem CID 3083592) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1,4-dimethyl-7-prop-1-en-2-ylazulene.

Molecular Properties

Compound Name1,4-dimethyl-7-prop-1-en-2-ylazulene
PubChem CID3083592
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1,4-dimethyl-7-prop-1-en-2-ylazulene
SMILESC=C(C)c1ccc(C)c2ccc(C)c-2c1
InChIInChI=1S/C15H16/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-9H,1H2,2-4H3
InChIKeyKFLXZUPIDNPCSD-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,4-dimethyl-7-prop-1-en-2-ylazulene 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 1,4-dimethyl-7-prop-1-en-2-ylazulene?
The IUPAC name of 1,4-dimethyl-7-prop-1-en-2-ylazulene (CID 3083592) is 1,4-dimethyl-7-prop-1-en-2-ylazulene.
What is the SMILES notation for 1,4-dimethyl-7-prop-1-en-2-ylazulene?
The canonical SMILES for 1,4-dimethyl-7-prop-1-en-2-ylazulene is C=C(C)c1ccc(C)c2ccc(C)c-2c1.
What is the InChIKey of 1,4-dimethyl-7-prop-1-en-2-ylazulene?
The InChIKey is KFLXZUPIDNPCSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-10(2)13-7-5-11(3)14-8-6-12(4)15(14)9-13/h5-9H,1H2,2-4H3.
What are the key properties of 1,4-dimethyl-7-prop-1-en-2-ylazulene?
1,4-dimethyl-7-prop-1-en-2-ylazulene has a molecular weight of 196.29 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-7-prop-1-en-2-ylazulene is sourced from PubChem (CID 3083592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).