1-methylindole;naphthalene-1,4-dione

C19H15NO2 — CID 175045014

IUPAC1-methylindole;naphthalene-1,4-dione
SMILESCn1ccc2ccccc21.O=C1C=CC(=O)c2ccccc21
InChIInChI=1S/C10H6O2.C9H9N/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;1-10-7-6-8-4-2-3-5-9(8)10/h1-6H;2-7H,1H3
InChIKeyRPGVRULUJOCDKT-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.80
Rot. Bonds

About 1-methylindole;naphthalene-1,4-dione

1-methylindole;naphthalene-1,4-dione (PubChem CID 175045014) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-methylindole;naphthalene-1,4-dione.

Molecular Properties

Compound Name1-methylindole;naphthalene-1,4-dione
PubChem CID175045014
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name1-methylindole;naphthalene-1,4-dione
SMILESCn1ccc2ccccc21.O=C1C=CC(=O)c2ccccc21
InChIInChI=1S/C10H6O2.C9H9N/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;1-10-7-6-8-4-2-3-5-9(8)10/h1-6H;2-7H,1H3
InChIKeyRPGVRULUJOCDKT-UHFFFAOYSA-N
XLogP3.80
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 1-methylindole;naphthalene-1,4-dione 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-methylindole;naphthalene-1,4-dione?
The IUPAC name of 1-methylindole;naphthalene-1,4-dione (CID 175045014) is 1-methylindole;naphthalene-1,4-dione.
What is the SMILES notation for 1-methylindole;naphthalene-1,4-dione?
The canonical SMILES for 1-methylindole;naphthalene-1,4-dione is Cn1ccc2ccccc21.O=C1C=CC(=O)c2ccccc21.
What is the InChIKey of 1-methylindole;naphthalene-1,4-dione?
The InChIKey is RPGVRULUJOCDKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O2.C9H9N/c11-9-5-6-10(12)8-4-2-1-3-7(8)9;1-10-7-6-8-4-2-3-5-9(8)10/h1-6H;2-7H,1H3.
What are the key properties of 1-methylindole;naphthalene-1,4-dione?
1-methylindole;naphthalene-1,4-dione has a molecular weight of 289.33 g/mol, XLogP of 3.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylindole;naphthalene-1,4-dione is sourced from PubChem (CID 175045014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).