(4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one

C14H13NO — CID 825903

IUPAC(4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one
SMILESCN1c2ccccc2C(=O)[C@H]2C=CC=C[C@@H]21
InChIInChI=1S/C14H13NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-10,12H,1H3/t10-,12-/m0/s1
InChIKeyLKBQKXBDNZMHJZ-JQWIXIFHSA-N
MW211.26 g/mol
LogP2.43
Rot. Bonds

About (4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one

(4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one (PubChem CID 825903) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is (4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one.

Molecular Properties

Compound Name(4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one
PubChem CID825903
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name(4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one
SMILESCN1c2ccccc2C(=O)[C@H]2C=CC=C[C@@H]21
InChIInChI=1S/C14H13NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-10,12H,1H3/t10-,12-/m0/s1
InChIKeyLKBQKXBDNZMHJZ-JQWIXIFHSA-N
XLogP2.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Cridanimod
CID 38072
4-Hydroxyquinoline
CID 69141
Acridone
CID 2015
2-Heptyl-4-hydroxyquinoline
CID 164974
N-Methylacridone
CID 69751
1-Methyl-4-quinolone
CID 6748
2-Methylquinolin-4-ol
CID 69089
Bentazon methyl
CID 611316
2-Phenyl-4-oxohydroquinoline
CID 161091
2-Undecyl-4(1H)-quinolone
CID 10063343
2-Methyl-acridone
CID 419818
2-(2-Nonenyl)-3-methylquinolin-4(1H)-one
CID 10401590

Frequently Asked Questions

What is the IUPAC name of (4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one?
The IUPAC name of (4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one (CID 825903) is (4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one.
What is the SMILES notation for (4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one?
The canonical SMILES for (4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one is CN1c2ccccc2C(=O)[C@H]2C=CC=C[C@@H]21.
What is the InChIKey of (4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one?
The InChIKey is LKBQKXBDNZMHJZ-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H13NO/c1-15-12-8-4-2-6-10(12)14(16)11-7-3-5-9-13(11)15/h2-10,12H,1H3/t10-,12-/m0/s1.
What are the key properties of (4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one?
(4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one has a molecular weight of 211.26 g/mol, XLogP of 2.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aS,9aS)-10-methyl-4a,9a-dihydroacridin-9-one is sourced from PubChem (CID 825903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).