(6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one

C17H19NO2 — CID 11821650

IUPAC(6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one
SMILESCC(=O)[C@@]12CC=C(C)C[C@@H]1C(=O)N(C)c1ccccc12
InChIInChI=1S/C17H19NO2/c1-11-8-9-17(12(2)19)13-6-4-5-7-15(13)18(3)16(20)14(17)10-11/h4-8,14H,9-10H2,1-3H3/t14-,17-/m1/s1
InChIKeyKEPAFWKCIAWLRT-RHSMWYFYSA-N
MW269.34 g/mol
LogP2.85
Rot. Bonds1

About (6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one

(6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one (PubChem CID 11821650) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is (6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one.

Molecular Properties

Compound Name(6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one
PubChem CID11821650
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name(6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one
SMILESCC(=O)[C@@]12CC=C(C)C[C@@H]1C(=O)N(C)c1ccccc12
InChIInChI=1S/C17H19NO2/c1-11-8-9-17(12(2)19)13-6-4-5-7-15(13)18(3)16(20)14(17)10-11/h4-8,14H,9-10H2,1-3H3/t14-,17-/m1/s1
InChIKeyKEPAFWKCIAWLRT-RHSMWYFYSA-N
XLogP2.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 10236758
1,3,3-Trimethyl-2,4(1H,3H)-quinolinedione
CID 99216
1-adamantyl(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2851184
1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)hexan-1-one
CID 3089554
N-Hydroxy-2-[1-(3-methyl-butyl)-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl]-acetamide
CID 11312326
1-[1-(4-Propan-2-ylcyclohexyl)piperidin-4-yl]-3,4-dihydroquinolin-2-one
CID 22562137
3-(2-Methylamino-ethyl)-1-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 44404182
3-Isopropyl-3-(3-methylamino-propyl)-1-p-tolyl-3,4-dihydro-1H-quinolin-2-one
CID 44404224
3-Methyl-3-(3-methylamino-propyl)-1-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 44404250
3-Ethyl-3-(3-methylamino-propyl)-1-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 44404279
3-(3-Methylamino-propyl)-1-phenyl-3-propyl-3,4-dihydro-1H-quinolin-2-one
CID 44404285
2(1H)-Quinolinone, 3,4-dihydro-1-(phenylmethyl)-
CID 2807457

Frequently Asked Questions

What is the IUPAC name of (6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one?
The IUPAC name of (6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one (CID 11821650) is (6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one.
What is the SMILES notation for (6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one?
The canonical SMILES for (6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one is CC(=O)[C@@]12CC=C(C)C[C@@H]1C(=O)N(C)c1ccccc12.
What is the InChIKey of (6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one?
The InChIKey is KEPAFWKCIAWLRT-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-8-9-17(12(2)19)13-6-4-5-7-15(13)18(3)16(20)14(17)10-11/h4-8,14H,9-10H2,1-3H3/t14-,17-/m1/s1.
What are the key properties of (6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one?
(6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one has a molecular weight of 269.34 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aS,10aS)-10a-acetyl-5,8-dimethyl-7,10-dihydro-6aH-phenanthridin-6-one is sourced from PubChem (CID 11821650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).