1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene

C17H16 — CID 145215013

IUPAC1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene
SMILESC=C1CCC=CC2=C1C1C(=C)C=CC=C1C=C2
InChIInChI=1S/C17H16/c1-12-6-3-4-8-14-10-11-15-9-5-7-13(2)17(15)16(12)14/h4-5,7-11,17H,1-3,6H2
InChIKeyMTARENIFNHBDCR-UHFFFAOYSA-N
MW220.31 g/mol
LogP4.43
Rot. Bonds

About 1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene

1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene (PubChem CID 145215013) has the molecular formula C17H16 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene.

Molecular Properties

Compound Name1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene
PubChem CID145215013
Molecular FormulaC17H16
Molecular Weight220.31 g/mol
Exact Mass220.13
IUPAC Name1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene
SMILESC=C1CCC=CC2=C1C1C(=C)C=CC=C1C=C2
InChIInChI=1S/C17H16/c1-12-6-3-4-8-14-10-11-15-9-5-7-13(2)17(15)16(12)14/h4-5,7-11,17H,1-3,6H2
InChIKeyMTARENIFNHBDCR-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene 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 1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene?
The IUPAC name of 1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene (CID 145215013) is 1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene.
What is the SMILES notation for 1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene?
The canonical SMILES for 1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene is C=C1CCC=CC2=C1C1C(=C)C=CC=C1C=C2.
What is the InChIKey of 1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene?
The InChIKey is MTARENIFNHBDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16/c1-12-6-3-4-8-14-10-11-15-9-5-7-13(2)17(15)16(12)14/h4-5,7-11,17H,1-3,6H2.
What are the key properties of 1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene?
1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene has a molecular weight of 220.31 g/mol, XLogP of 4.43, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,11-dimethylidene-10,11b-dihydro-9H-cyclohepta[a]naphthalene is sourced from PubChem (CID 145215013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).