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

C13H15NO — CID 659071

IUPAC2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one
SMILESO=C1c2ccccc2NC2CCCCC12
InChIInChI=1S/C13H15NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1,3,5,7,10,12,14H,2,4,6,8H2
InChIKeyCNUIUCCFNNKAKQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.85
Rot. Bonds

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

2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one (PubChem CID 659071) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one.

Molecular Properties

Compound Name2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one
PubChem CID659071
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one
SMILESO=C1c2ccccc2NC2CCCCC12
InChIInChI=1S/C13H15NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1,3,5,7,10,12,14H,2,4,6,8H2
InChIKeyCNUIUCCFNNKAKQ-UHFFFAOYSA-N
XLogP2.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one?
The IUPAC name of 2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one (CID 659071) is 2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one.
What is the SMILES notation for 2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one?
The canonical SMILES for 2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one is O=C1c2ccccc2NC2CCCCC12.
What is the InChIKey of 2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one?
The InChIKey is CNUIUCCFNNKAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-13-9-5-1-3-7-11(9)14-12-8-4-2-6-10(12)13/h1,3,5,7,10,12,14H,2,4,6,8H2.
What are the key properties of 2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one?
2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one has a molecular weight of 201.27 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one is sourced from PubChem (CID 659071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).