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

C11H8N2O — CID 14146438

IUPAC2,9-dihydropyrido[3,4-b]indol-3-one
SMILESO=c1cc2c(c[nH]1)[nH]c1ccccc12
InChIInChI=1S/C11H8N2O/c14-11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H,(H,12,14)
InChIKeyUDTDJSXOXQLKGM-UHFFFAOYSA-N
MW184.20 g/mol
LogP2.01
Rot. Bonds

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

2,9-dihydropyrido[3,4-b]indol-3-one (PubChem CID 14146438) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2,9-dihydropyrido[3,4-b]indol-3-one.

Molecular Properties

Compound Name2,9-dihydropyrido[3,4-b]indol-3-one
PubChem CID14146438
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2,9-dihydropyrido[3,4-b]indol-3-one
SMILESO=c1cc2c(c[nH]1)[nH]c1ccccc12
InChIInChI=1S/C11H8N2O/c14-11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H,(H,12,14)
InChIKeyUDTDJSXOXQLKGM-UHFFFAOYSA-N
XLogP2.01
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,9-dihydropyrido[3,4-b]indol-3-one?
The IUPAC name of 2,9-dihydropyrido[3,4-b]indol-3-one (CID 14146438) is 2,9-dihydropyrido[3,4-b]indol-3-one.
What is the SMILES notation for 2,9-dihydropyrido[3,4-b]indol-3-one?
The canonical SMILES for 2,9-dihydropyrido[3,4-b]indol-3-one is O=c1cc2c(c[nH]1)[nH]c1ccccc12.
What is the InChIKey of 2,9-dihydropyrido[3,4-b]indol-3-one?
The InChIKey is UDTDJSXOXQLKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-11-5-8-7-3-1-2-4-9(7)13-10(8)6-12-11/h1-6,13H,(H,12,14).
What are the key properties of 2,9-dihydropyrido[3,4-b]indol-3-one?
2,9-dihydropyrido[3,4-b]indol-3-one has a molecular weight of 184.20 g/mol, XLogP of 2.01, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dihydropyrido[3,4-b]indol-3-one is sourced from PubChem (CID 14146438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).