3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline

C15H18N2 — CID 20767107

IUPAC3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline
SMILESC=C1C2CCc3ccccc3C2=NNC1(C)C
InChIInChI=1S/C15H18N2/c1-10-12-9-8-11-6-4-5-7-13(11)14(12)16-17-15(10,2)3/h4-7,12,17H,1,8-9H2,2-3H3
InChIKeyNAHXQBUMHXAYNT-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.89
Rot. Bonds

About 3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline

3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline (PubChem CID 20767107) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline.

Molecular Properties

Compound Name3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline
PubChem CID20767107
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline
SMILESC=C1C2CCc3ccccc3C2=NNC1(C)C
InChIInChI=1S/C15H18N2/c1-10-12-9-8-11-6-4-5-7-13(11)14(12)16-17-15(10,2)3/h4-7,12,17H,1,8-9H2,2-3H3
InChIKeyNAHXQBUMHXAYNT-UHFFFAOYSA-N
XLogP2.89
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline 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 3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline?
The IUPAC name of 3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline (CID 20767107) is 3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline.
What is the SMILES notation for 3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline?
The canonical SMILES for 3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline is C=C1C2CCc3ccccc3C2=NNC1(C)C.
What is the InChIKey of 3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline?
The InChIKey is NAHXQBUMHXAYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-10-12-9-8-11-6-4-5-7-13(11)14(12)16-17-15(10,2)3/h4-7,12,17H,1,8-9H2,2-3H3.
What are the key properties of 3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline?
3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline has a molecular weight of 226.32 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-methylidene-2,4a,5,6-tetrahydrobenzo[h]cinnoline is sourced from PubChem (CID 20767107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).