10a,11-dihydro-5aH-benzo[b]acridin-4-one

C17H13NO — CID 90977563

IUPAC10a,11-dihydro-5aH-benzo[b]acridin-4-one
SMILESO=C1C=CC=C2C=C3CC4C=CC=CC4=CC3N=C12
InChIInChI=1S/C17H13NO/c19-16-7-3-6-13-9-14-8-11-4-1-2-5-12(11)10-15(14)18-17(13)16/h1-7,9-11,15H,8H2
InChIKeyIIAAEIDWDXZFPY-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.87
Rot. Bonds

About 10a,11-dihydro-5aH-benzo[b]acridin-4-one

10a,11-dihydro-5aH-benzo[b]acridin-4-one (PubChem CID 90977563) has the molecular formula C17H13NO and a molecular weight of 247.30 g/mol. Its IUPAC name is 10a,11-dihydro-5aH-benzo[b]acridin-4-one.

Molecular Properties

Compound Name10a,11-dihydro-5aH-benzo[b]acridin-4-one
PubChem CID90977563
Molecular FormulaC17H13NO
Molecular Weight247.30 g/mol
Exact Mass247.10
IUPAC Name10a,11-dihydro-5aH-benzo[b]acridin-4-one
SMILESO=C1C=CC=C2C=C3CC4C=CC=CC4=CC3N=C12
InChIInChI=1S/C17H13NO/c19-16-7-3-6-13-9-14-8-11-4-1-2-5-12(11)10-15(14)18-17(13)16/h1-7,9-11,15H,8H2
InChIKeyIIAAEIDWDXZFPY-UHFFFAOYSA-N
XLogP2.87
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}

Analyze 10a,11-dihydro-5aH-benzo[b]acridin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4b,8a-Dihydro-carbazole-3-one
CID 15182293
2,6-dimethyl-4a,8a-dihydro-3H-quinolin-4-one
CID 145924399
6,6a-dihydro-4H-phenanthridin-1-one
CID 57322103
5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methyl]-2-propan-2-ylcyclohexa-2,5-dien-1-one
CID 146175595
(4Z)-5-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methylidene]-2-propan-2-ylcyclohexa-2,5-dien-1-one
CID 146175601
(4bS,8aS)-2-methyl-4b,8a-dihydrocarbazol-3-one
CID 135047934
(4bS,8aS)-1,2,4-trimethyl-4b,8a-dihydrocarbazol-3-one
CID 135047962
2-methyl-4-[(7-methyl-4,9a-dihydro-3H-pyrido[3,4-b]indol-1-yl)methyl]-5-propan-2-ylcyclohexa-2,5-dien-1-one
CID 161287034

Frequently Asked Questions

What is the IUPAC name of 10a,11-dihydro-5aH-benzo[b]acridin-4-one?
The IUPAC name of 10a,11-dihydro-5aH-benzo[b]acridin-4-one (CID 90977563) is 10a,11-dihydro-5aH-benzo[b]acridin-4-one.
What is the SMILES notation for 10a,11-dihydro-5aH-benzo[b]acridin-4-one?
The canonical SMILES for 10a,11-dihydro-5aH-benzo[b]acridin-4-one is O=C1C=CC=C2C=C3CC4C=CC=CC4=CC3N=C12.
What is the InChIKey of 10a,11-dihydro-5aH-benzo[b]acridin-4-one?
The InChIKey is IIAAEIDWDXZFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO/c19-16-7-3-6-13-9-14-8-11-4-1-2-5-12(11)10-15(14)18-17(13)16/h1-7,9-11,15H,8H2.
What are the key properties of 10a,11-dihydro-5aH-benzo[b]acridin-4-one?
10a,11-dihydro-5aH-benzo[b]acridin-4-one has a molecular weight of 247.30 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10a,11-dihydro-5aH-benzo[b]acridin-4-one is sourced from PubChem (CID 90977563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).