(6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one

C15H15NO — CID 131859713

IUPAC(6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one
SMILESCC1=CC=C[C@@H]2c3ccccc3N(C)C(=O)[C@H]12
InChIInChI=1S/C15H15NO/c1-10-6-5-8-12-11-7-3-4-9-13(11)16(2)15(17)14(10)12/h3-9,12,14H,1-2H3/t12-,14-/m1/s1
InChIKeyKXEFKRAEQLIFFN-TZMCWYRMSA-N
MW225.29 g/mol
LogP2.88
Rot. Bonds

About (6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one

(6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one (PubChem CID 131859713) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is (6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one.

Molecular Properties

Compound Name(6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one
PubChem CID131859713
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name(6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one
SMILESCC1=CC=C[C@@H]2c3ccccc3N(C)C(=O)[C@H]12
InChIInChI=1S/C15H15NO/c1-10-6-5-8-12-11-7-3-4-9-13(11)16(2)15(17)14(10)12/h3-9,12,14H,1-2H3/t12-,14-/m1/s1
InChIKeyKXEFKRAEQLIFFN-TZMCWYRMSA-N
XLogP2.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one?
The IUPAC name of (6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one (CID 131859713) is (6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one.
What is the SMILES notation for (6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one?
The canonical SMILES for (6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one is CC1=CC=C[C@@H]2c3ccccc3N(C)C(=O)[C@H]12.
What is the InChIKey of (6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one?
The InChIKey is KXEFKRAEQLIFFN-TZMCWYRMSA-N. The full InChI is InChI=1S/C15H15NO/c1-10-6-5-8-12-11-7-3-4-9-13(11)16(2)15(17)14(10)12/h3-9,12,14H,1-2H3/t12-,14-/m1/s1.
What are the key properties of (6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one?
(6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one has a molecular weight of 225.29 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,10aS)-5,7-dimethyl-6a,10a-dihydrophenanthridin-6-one is sourced from PubChem (CID 131859713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).