(8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one

C17H16N2O — CID 162398167

IUPAC(8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one
SMILESC[C@@]12C(=O)CCC[C@@H]1c1nccnc1-c1ccccc12
InChIInChI=1S/C17H16N2O/c1-17-12-6-3-2-5-11(12)15-16(19-10-9-18-15)13(17)7-4-8-14(17)20/h2-3,5-6,9-10,13H,4,7-8H2,1H3/t13-,17+/m1/s1
InChIKeyDCWSYYAXFQUSNW-DYVFJYSZSA-N
MW264.33 g/mol
LogP3.25
Rot. Bonds

About (8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one

(8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one (PubChem CID 162398167) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is (8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one.

Molecular Properties

Compound Name(8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one
PubChem CID162398167
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name(8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one
SMILESC[C@@]12C(=O)CCC[C@@H]1c1nccnc1-c1ccccc12
InChIInChI=1S/C17H16N2O/c1-17-12-6-3-2-5-11(12)15-16(19-10-9-18-15)13(17)7-4-8-14(17)20/h2-3,5-6,9-10,13H,4,7-8H2,1H3/t13-,17+/m1/s1
InChIKeyDCWSYYAXFQUSNW-DYVFJYSZSA-N
XLogP3.25
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one 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 (8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one?
The IUPAC name of (8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one (CID 162398167) is (8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one.
What is the SMILES notation for (8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one?
The canonical SMILES for (8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one is C[C@@]12C(=O)CCC[C@@H]1c1nccnc1-c1ccccc12.
What is the InChIKey of (8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one?
The InChIKey is DCWSYYAXFQUSNW-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H16N2O/c1-17-12-6-3-2-5-11(12)15-16(19-10-9-18-15)13(17)7-4-8-14(17)20/h2-3,5-6,9-10,13H,4,7-8H2,1H3/t13-,17+/m1/s1.
What are the key properties of (8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one?
(8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one has a molecular weight of 264.33 g/mol, XLogP of 3.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8bR,12aS)-8b-methyl-10,11,12,12a-tetrahydrophenanthro[9,10-b]pyrazin-9-one is sourced from PubChem (CID 162398167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).