1-acetyl-2,9-dihydropyrido[3,4-b]indol-3-one

C13H10N2O2 — CID 72949952

IUPAC1-acetyl-2,9-dihydropyrido[3,4-b]indol-3-one
SMILESCC(=O)c1[nH]c(=O)cc2c1[nH]c1ccccc12
InChIInChI=1S/C13H10N2O2/c1-7(16)12-13-9(6-11(17)15-12)8-4-2-3-5-10(8)14-13/h2-6,14H,1H3,(H,15,17)
InChIKeyIKXVCSKDYINBFT-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.21
Rot. Bonds1

About 1-acetyl-2,9-dihydropyrido[3,4-b]indol-3-one

1-acetyl-2,9-dihydropyrido[3,4-b]indol-3-one (PubChem CID 72949952) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1-acetyl-2,9-dihydropyrido[3,4-b]indol-3-one.

Molecular Properties

Compound Name1-acetyl-2,9-dihydropyrido[3,4-b]indol-3-one
PubChem CID72949952
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name1-acetyl-2,9-dihydropyrido[3,4-b]indol-3-one
SMILESCC(=O)c1[nH]c(=O)cc2c1[nH]c1ccccc12
InChIInChI=1S/C13H10N2O2/c1-7(16)12-13-9(6-11(17)15-12)8-4-2-3-5-10(8)14-13/h2-6,14H,1H3,(H,15,17)
InChIKeyIKXVCSKDYINBFT-UHFFFAOYSA-N
XLogP2.21
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-2,9-dihydropyrido[3,4-b]indol-3-one?
The IUPAC name of 1-acetyl-2,9-dihydropyrido[3,4-b]indol-3-one (CID 72949952) is 1-acetyl-2,9-dihydropyrido[3,4-b]indol-3-one.
What is the SMILES notation for 1-acetyl-2,9-dihydropyrido[3,4-b]indol-3-one?
The canonical SMILES for 1-acetyl-2,9-dihydropyrido[3,4-b]indol-3-one is CC(=O)c1[nH]c(=O)cc2c1[nH]c1ccccc12.
What is the InChIKey of 1-acetyl-2,9-dihydropyrido[3,4-b]indol-3-one?
The InChIKey is IKXVCSKDYINBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-7(16)12-13-9(6-11(17)15-12)8-4-2-3-5-10(8)14-13/h2-6,14H,1H3,(H,15,17).
What are the key properties of 1-acetyl-2,9-dihydropyrido[3,4-b]indol-3-one?
1-acetyl-2,9-dihydropyrido[3,4-b]indol-3-one has a molecular weight of 226.24 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-2,9-dihydropyrido[3,4-b]indol-3-one is sourced from PubChem (CID 72949952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).