5-methyl-4,10-dihydro-3H-acridin-9-one

C14H13NO — CID 67876070

IUPAC5-methyl-4,10-dihydro-3H-acridin-9-one
SMILESCc1cccc2c(=O)c3c([nH]c12)CCC=C3
InChIInChI=1S/C14H13NO/c1-9-5-4-7-11-13(9)15-12-8-3-2-6-10(12)14(11)16/h2,4-7H,3,8H2,1H3,(H,15,16)
InChIKeyPARBAUJIKWUQLC-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.80
Rot. Bonds

About 5-methyl-4,10-dihydro-3H-acridin-9-one

5-methyl-4,10-dihydro-3H-acridin-9-one (PubChem CID 67876070) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-methyl-4,10-dihydro-3H-acridin-9-one.

Molecular Properties

Compound Name5-methyl-4,10-dihydro-3H-acridin-9-one
PubChem CID67876070
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name5-methyl-4,10-dihydro-3H-acridin-9-one
SMILESCc1cccc2c(=O)c3c([nH]c12)CCC=C3
InChIInChI=1S/C14H13NO/c1-9-5-4-7-11-13(9)15-12-8-3-2-6-10(12)14(11)16/h2,4-7H,3,8H2,1H3,(H,15,16)
InChIKeyPARBAUJIKWUQLC-UHFFFAOYSA-N
XLogP2.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,10-dihydro-3H-acridin-9-one?
The IUPAC name of 5-methyl-4,10-dihydro-3H-acridin-9-one (CID 67876070) is 5-methyl-4,10-dihydro-3H-acridin-9-one.
What is the SMILES notation for 5-methyl-4,10-dihydro-3H-acridin-9-one?
The canonical SMILES for 5-methyl-4,10-dihydro-3H-acridin-9-one is Cc1cccc2c(=O)c3c([nH]c12)CCC=C3.
What is the InChIKey of 5-methyl-4,10-dihydro-3H-acridin-9-one?
The InChIKey is PARBAUJIKWUQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-9-5-4-7-11-13(9)15-12-8-3-2-6-10(12)14(11)16/h2,4-7H,3,8H2,1H3,(H,15,16).
What are the key properties of 5-methyl-4,10-dihydro-3H-acridin-9-one?
5-methyl-4,10-dihydro-3H-acridin-9-one has a molecular weight of 211.26 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,10-dihydro-3H-acridin-9-one is sourced from PubChem (CID 67876070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).