3-methylindeno[1,2-b]pyridin-5-one

C13H9NO — CID 928398

IUPAC3-methylindeno[1,2-b]pyridin-5-one
SMILESCc1cnc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C13H9NO/c1-8-6-11-12(14-7-8)9-4-2-3-5-10(9)13(11)15/h2-7H,1H3
InChIKeyUDSFAVGSOSANSB-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.60
Rot. Bonds

About 3-methylindeno[1,2-b]pyridin-5-one

3-methylindeno[1,2-b]pyridin-5-one (PubChem CID 928398) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-methylindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name3-methylindeno[1,2-b]pyridin-5-one
PubChem CID928398
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name3-methylindeno[1,2-b]pyridin-5-one
SMILESCc1cnc2c(c1)C(=O)c1ccccc1-2
InChIInChI=1S/C13H9NO/c1-8-6-11-12(14-7-8)9-4-2-3-5-10(9)13(11)15/h2-7H,1H3
InChIKeyUDSFAVGSOSANSB-UHFFFAOYSA-N
XLogP2.60
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_phenone_A(11)', 'substructure': 'N/A'}

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Related Compounds

Phenyl-3-pyridinylmethanone
CID 21540
2-(Pyridin-2-yl)-1H-indene-1,3(2H)-dione
CID 238065
Prt-4165
CID 207893
4,5-Diazafluoren-9-one
CID 342157
(e)-2-(Pyridin-2-ylmethylene)-2,3-dihydro-1h-inden-1-one
CID 6526506
7-Nitro-5-indeno[1,2-b]pyridinone
CID 614657
Onychine
CID 72584
2-(3-Pyridylmethylene)-1-indanone
CID 5476631
5-Pyridin-3-yl-2,3-dihydro-1H-inden-1-one
CID 18407230
2-(pyridin-4-yl)-2,3-dihydro-1H-indene-1,3-dione
CID 694901
1-Phenyl-2-(2-pyridinyl)ethanone
CID 74179
9H-Indeno(2,1-b)pyridin-9-one
CID 42613

Frequently Asked Questions

What is the IUPAC name of 3-methylindeno[1,2-b]pyridin-5-one?
The IUPAC name of 3-methylindeno[1,2-b]pyridin-5-one (CID 928398) is 3-methylindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 3-methylindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 3-methylindeno[1,2-b]pyridin-5-one is Cc1cnc2c(c1)C(=O)c1ccccc1-2.
What is the InChIKey of 3-methylindeno[1,2-b]pyridin-5-one?
The InChIKey is UDSFAVGSOSANSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c1-8-6-11-12(14-7-8)9-4-2-3-5-10(9)13(11)15/h2-7H,1H3.
What are the key properties of 3-methylindeno[1,2-b]pyridin-5-one?
3-methylindeno[1,2-b]pyridin-5-one has a molecular weight of 195.22 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 928398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).