9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one

C12H12N2O — CID 10821901

IUPAC9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
SMILESNC1CCC(=O)n2c1cc1ccccc12
InChIInChI=1S/C12H12N2O/c13-9-5-6-12(15)14-10-4-2-1-3-8(10)7-11(9)14/h1-4,7,9H,5-6,13H2
InChIKeyVMKAXSVOYXMWSS-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.08
Rot. Bonds

About 9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one

9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one (PubChem CID 10821901) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one.

Molecular Properties

Compound Name9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
PubChem CID10821901
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one
SMILESNC1CCC(=O)n2c1cc1ccccc12
InChIInChI=1S/C12H12N2O/c13-9-5-6-12(15)14-10-4-2-1-3-8(10)7-11(9)14/h1-4,7,9H,5-6,13H2
InChIKeyVMKAXSVOYXMWSS-UHFFFAOYSA-N
XLogP2.08
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
The IUPAC name of 9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one (CID 10821901) is 9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one.
What is the SMILES notation for 9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
The canonical SMILES for 9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one is NC1CCC(=O)n2c1cc1ccccc12.
What is the InChIKey of 9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
The InChIKey is VMKAXSVOYXMWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c13-9-5-6-12(15)14-10-4-2-1-3-8(10)7-11(9)14/h1-4,7,9H,5-6,13H2.
What are the key properties of 9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one?
9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one has a molecular weight of 200.24 g/mol, XLogP of 2.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-8,9-dihydro-7H-pyrido[1,2-a]indol-6-one is sourced from PubChem (CID 10821901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).