1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one

C24H26N2O — CID 174842368

IUPAC1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one
SMILESC1=CNCC=N1.CC1CC(=O)C2=C(C1)[C@@H](C)Cc1c2ccc2ccccc12
InChIInChI=1S/C20H20O.C4H6N2/c1-12-9-17-13(2)11-18-15-6-4-3-5-14(15)7-8-16(18)20(17)19(21)10-12;1-2-6-4-3-5-1/h3-8,12-13H,9-11H2,1-2H3;1-3,6H,4H2/t12?,13-;/m0./s1
InChIKeyJPDGOKXWOLQXFA-ZEDZUCNESA-N
MW358.49 g/mol
LogP4.92
Rot. Bonds

About 1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one

1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one (PubChem CID 174842368) has the molecular formula C24H26N2O and a molecular weight of 358.49 g/mol. Its IUPAC name is 1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one.

Molecular Properties

Compound Name1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one
PubChem CID174842368
Molecular FormulaC24H26N2O
Molecular Weight358.49 g/mol
Exact Mass358.20
IUPAC Name1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one
SMILESC1=CNCC=N1.CC1CC(=O)C2=C(C1)[C@@H](C)Cc1c2ccc2ccccc12
InChIInChI=1S/C20H20O.C4H6N2/c1-12-9-17-13(2)11-18-15-6-4-3-5-14(15)7-8-16(18)20(17)19(21)10-12;1-2-6-4-3-5-1/h3-8,12-13H,9-11H2,1-2H3;1-3,6H,4H2/t12?,13-;/m0./s1
InChIKeyJPDGOKXWOLQXFA-ZEDZUCNESA-N
XLogP4.92
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one with MolForge

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Related Compounds

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1-methyl-1,2,11,12-tetrahydrochrysene
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methyl (12R)-12-hydroxy-16-oxo-11,12,15,17-tetrahydrocyclopenta[a]phenanthrene-15-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one?
The IUPAC name of 1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one (CID 174842368) is 1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one.
What is the SMILES notation for 1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one?
The canonical SMILES for 1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one is C1=CNCC=N1.CC1CC(=O)C2=C(C1)[C@@H](C)Cc1c2ccc2ccccc12.
What is the InChIKey of 1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one?
The InChIKey is JPDGOKXWOLQXFA-ZEDZUCNESA-N. The full InChI is InChI=1S/C20H20O.C4H6N2/c1-12-9-17-13(2)11-18-15-6-4-3-5-14(15)7-8-16(18)20(17)19(21)10-12;1-2-6-4-3-5-1/h3-8,12-13H,9-11H2,1-2H3;1-3,6H,4H2/t12?,13-;/m0./s1.
What are the key properties of 1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one?
1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one has a molecular weight of 358.49 g/mol, XLogP of 4.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyrazine;(12S)-2,12-dimethyl-2,3,11,12-tetrahydro-1H-chrysen-4-one is sourced from PubChem (CID 174842368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).