9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one

C14H15NO — CID 123757263

IUPAC9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one
SMILESCC1=C2C=CC=CC2N=C2C(=O)CCCC21
InChIInChI=1S/C14H15NO/c1-9-10-5-2-3-7-12(10)15-14-11(9)6-4-8-13(14)16/h2-3,5,7,11-12H,4,6,8H2,1H3
InChIKeyMGQLVFOGHYPWDY-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.62
Rot. Bonds

About 9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one

9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one (PubChem CID 123757263) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one.

Molecular Properties

Compound Name9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one
PubChem CID123757263
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one
SMILESCC1=C2C=CC=CC2N=C2C(=O)CCCC21
InChIInChI=1S/C14H15NO/c1-9-10-5-2-3-7-12(10)15-14-11(9)6-4-8-13(14)16/h2-3,5,7,11-12H,4,6,8H2,1H3
InChIKeyMGQLVFOGHYPWDY-UHFFFAOYSA-N
XLogP2.62
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 145924399
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CID 89120723
4-(4-cyclohexa-1,5-dien-1-yl-3-methylcyclohexa-1,5-dien-1-yl)-3,4,4a,6,7,8-hexahydro-2H-quinolin-5-one
CID 91129636
1-[4-[[1-methyl-6-(3-methylcyclohex-2-en-1-yl)-3,4,4a,5-tetrahydro-2H-benzo[7]annulen-2-yl]imino]cyclohex-2-en-1-yl]propan-1-one
CID 91567738
3-Cyclohexa-2,4-dien-1-ylimino-2-methylcyclopentan-1-one
CID 123686412
4a,6,7,8-tetrahydro-2H-quinolin-5-one
CID 123972882
2,3,4,4a,5,6-Hexahydrocarbazol-1-one
CID 139329814
(6E)-5-methyl-6-(6-methyliminocyclohexa-2,4-dien-1-ylidene)octan-2-one
CID 142308331
1-(3,5,6,7,8,8a-Hexahydroisoquinolin-1-yl)-2,2-dimethylpropan-1-one
CID 10656510

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one?
The IUPAC name of 9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one (CID 123757263) is 9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one.
What is the SMILES notation for 9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one?
The canonical SMILES for 9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one is CC1=C2C=CC=CC2N=C2C(=O)CCCC21.
What is the InChIKey of 9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one?
The InChIKey is MGQLVFOGHYPWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-9-10-5-2-3-7-12(10)15-14-11(9)6-4-8-13(14)16/h2-3,5,7,11-12H,4,6,8H2,1H3.
What are the key properties of 9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one?
9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one has a molecular weight of 213.28 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2,3,9a,10a-tetrahydro-1H-acridin-4-one is sourced from PubChem (CID 123757263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).