1-(9H-pyrido[3,4-b]indol-1-yl)ethanone

C13H10N2O — CID 638667

IUPAC1-(9H-pyrido[3,4-b]indol-1-yl)ethanone
SMILESCC(=O)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C13H10N2O/c1-8(16)12-13-10(6-7-14-12)9-4-2-3-5-11(9)15-13/h2-7,15H,1H3
InChIKeyNXZSUJKPVSDFNF-UHFFFAOYSA-N
MW210.24 g/mol
LogP2.92
Rot. Bonds1

About 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone

1-(9H-pyrido[3,4-b]indol-1-yl)ethanone (PubChem CID 638667) has the molecular formula C13H10N2O and a molecular weight of 210.24 g/mol. Its IUPAC name is 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone.

Molecular Properties

Compound Name1-(9H-pyrido[3,4-b]indol-1-yl)ethanone
PubChem CID638667
Molecular FormulaC13H10N2O
Molecular Weight210.24 g/mol
Exact Mass210.08
IUPAC Name1-(9H-pyrido[3,4-b]indol-1-yl)ethanone
SMILESCC(=O)c1nccc2c1[nH]c1ccccc12
InChIInChI=1S/C13H10N2O/c1-8(16)12-13-10(6-7-14-12)9-4-2-3-5-11(9)15-13/h2-7,15H,1H3
InChIKeyNXZSUJKPVSDFNF-UHFFFAOYSA-N
XLogP2.92
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone?
The IUPAC name of 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone (CID 638667) is 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone.
What is the SMILES notation for 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone?
The canonical SMILES for 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone is CC(=O)c1nccc2c1[nH]c1ccccc12.
What is the InChIKey of 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone?
The InChIKey is NXZSUJKPVSDFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O/c1-8(16)12-13-10(6-7-14-12)9-4-2-3-5-11(9)15-13/h2-7,15H,1H3.
What are the key properties of 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone?
1-(9H-pyrido[3,4-b]indol-1-yl)ethanone has a molecular weight of 210.24 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9H-pyrido[3,4-b]indol-1-yl)ethanone is sourced from PubChem (CID 638667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).