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

C12H10N2O — CID 12529019

IUPAC3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
SMILESCc1cc2c([nH]c3ccccc32)c(=O)[nH]1
InChIInChI=1S/C12H10N2O/c1-7-6-9-8-4-2-3-5-10(8)14-11(9)12(15)13-7/h2-6,14H,1H3,(H,13,15)
InChIKeyALWGEQKCUIOXKQ-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.32
Rot. Bonds

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

3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one (PubChem CID 12529019) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one.

Molecular Properties

Compound Name3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
PubChem CID12529019
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one
SMILESCc1cc2c([nH]c3ccccc32)c(=O)[nH]1
InChIInChI=1S/C12H10N2O/c1-7-6-9-8-4-2-3-5-10(8)14-11(9)12(15)13-7/h2-6,14H,1H3,(H,13,15)
InChIKeyALWGEQKCUIOXKQ-UHFFFAOYSA-N
XLogP2.32
TPSA48.65 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one?
The IUPAC name of 3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one (CID 12529019) is 3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one.
What is the SMILES notation for 3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one?
The canonical SMILES for 3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one is Cc1cc2c([nH]c3ccccc32)c(=O)[nH]1.
What is the InChIKey of 3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one?
The InChIKey is ALWGEQKCUIOXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c1-7-6-9-8-4-2-3-5-10(8)14-11(9)12(15)13-7/h2-6,14H,1H3,(H,13,15).
What are the key properties of 3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one?
3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one has a molecular weight of 198.22 g/mol, XLogP of 2.32, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,9-dihydropyrido[3,4-b]indol-1-one is sourced from PubChem (CID 12529019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).