6-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one

C12H10N2O2 — CID 70649569

IUPAC6-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one
SMILESCc1[nH]ccc2c1[nH]c1cc(=O)c(O)cc12
InChIInChI=1S/C12H10N2O2/c1-6-12-7(2-3-13-6)8-4-10(15)11(16)5-9(8)14-12/h2-5,13-15H,1H3
InChIKeyFUEIADAOOQNGQC-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.02
Rot. Bonds

About 6-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one

6-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one (PubChem CID 70649569) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 6-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one.

Molecular Properties

Compound Name6-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one
PubChem CID70649569
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name6-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one
SMILESCc1[nH]ccc2c1[nH]c1cc(=O)c(O)cc12
InChIInChI=1S/C12H10N2O2/c1-6-12-7(2-3-13-6)8-4-10(15)11(16)5-9(8)14-12/h2-5,13-15H,1H3
InChIKeyFUEIADAOOQNGQC-UHFFFAOYSA-N
XLogP2.02
TPSA68.88 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one?
The IUPAC name of 6-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one (CID 70649569) is 6-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one.
What is the SMILES notation for 6-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one?
The canonical SMILES for 6-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one is Cc1[nH]ccc2c1[nH]c1cc(=O)c(O)cc12.
What is the InChIKey of 6-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one?
The InChIKey is FUEIADAOOQNGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-6-12-7(2-3-13-6)8-4-10(15)11(16)5-9(8)14-12/h2-5,13-15H,1H3.
What are the key properties of 6-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one?
6-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one has a molecular weight of 214.22 g/mol, XLogP of 2.02, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-methyl-2,9-dihydropyrido[3,4-b]indol-7-one is sourced from PubChem (CID 70649569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).