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

C13H14N2O — CID 88626516

IUPAC9-amino-2,3,10,10a-tetrahydro-1H-acridin-4-one
SMILESNC1=C2C=CC=CC2NC2=C1CCCC2=O
InChIInChI=1S/C13H14N2O/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16/h1-2,4,6,10,15H,3,5,7,14H2
InChIKeyZAAYOBAZHGWJOK-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.30
Rot. Bonds

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

9-amino-2,3,10,10a-tetrahydro-1H-acridin-4-one (PubChem CID 88626516) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 9-amino-2,3,10,10a-tetrahydro-1H-acridin-4-one.

Molecular Properties

Compound Name9-amino-2,3,10,10a-tetrahydro-1H-acridin-4-one
PubChem CID88626516
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name9-amino-2,3,10,10a-tetrahydro-1H-acridin-4-one
SMILESNC1=C2C=CC=CC2NC2=C1CCCC2=O
InChIInChI=1S/C13H14N2O/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16/h1-2,4,6,10,15H,3,5,7,14H2
InChIKeyZAAYOBAZHGWJOK-UHFFFAOYSA-N
XLogP1.30
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-amino-2,3,10,10a-tetrahydro-1H-acridin-4-one?
The IUPAC name of 9-amino-2,3,10,10a-tetrahydro-1H-acridin-4-one (CID 88626516) is 9-amino-2,3,10,10a-tetrahydro-1H-acridin-4-one.
What is the SMILES notation for 9-amino-2,3,10,10a-tetrahydro-1H-acridin-4-one?
The canonical SMILES for 9-amino-2,3,10,10a-tetrahydro-1H-acridin-4-one is NC1=C2C=CC=CC2NC2=C1CCCC2=O.
What is the InChIKey of 9-amino-2,3,10,10a-tetrahydro-1H-acridin-4-one?
The InChIKey is ZAAYOBAZHGWJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-12-8-4-1-2-6-10(8)15-13-9(12)5-3-7-11(13)16/h1-2,4,6,10,15H,3,5,7,14H2.
What are the key properties of 9-amino-2,3,10,10a-tetrahydro-1H-acridin-4-one?
9-amino-2,3,10,10a-tetrahydro-1H-acridin-4-one has a molecular weight of 214.27 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2,3,10,10a-tetrahydro-1H-acridin-4-one is sourced from PubChem (CID 88626516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).