5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one

C24H16N2O — CID 160581991

IUPAC5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccccc2-c2ncccc21.c1ccc2c(c1)Cc1cccnc1-2
InChIInChI=1S/C12H7NO.C12H9N/c14-12-9-5-2-1-4-8(9)11-10(12)6-3-7-13-11;1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)11/h1-7H;1-7H,8H2
InChIKeyRBXCMFHTWCJBTL-UHFFFAOYSA-N
MW348.41 g/mol
LogP4.95
Rot. Bonds

About 5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one

5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one (PubChem CID 160581991) has the molecular formula C24H16N2O and a molecular weight of 348.41 g/mol. Its IUPAC name is 5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one
PubChem CID160581991
Molecular FormulaC24H16N2O
Molecular Weight348.41 g/mol
Exact Mass348.13
IUPAC Name5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one
SMILESO=C1c2ccccc2-c2ncccc21.c1ccc2c(c1)Cc1cccnc1-2
InChIInChI=1S/C12H7NO.C12H9N/c14-12-9-5-2-1-4-8(9)11-10(12)6-3-7-13-11;1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)11/h1-7H;1-7H,8H2
InChIKeyRBXCMFHTWCJBTL-UHFFFAOYSA-N
XLogP4.95
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10H-anthracen-9-one;fluoren-9-one
CID 67642372
2-pyridin-2-yl-5H-indeno[1,2-b]pyridine
CID 58637338
3-azatricyclo[6.4.0.02,7]dodeca-1(12),2(7),3,5,8,10-hexaene;biphenylene
CID 175097557
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
7-(difluoromethoxy)-5H-indeno[1,2-b]pyridine
CID 177204880
4,7-phenanthroline-5,6-dione
CID 6764
2,20-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,16(21),17,19-nonaene
CID 14812683
cyclopenta[b]pyridine-5,7-dione
CID 20617921
10H-anthracen-9-one;ethane;methanol
CID 90976205
6-chloro-7H-naphtho[3,2-h]quinolin-12-one
CID 123639449
anthracene-9,10-dione;platinum(2+);dichloride
CID 174702138
anthracene-9,10-dione;2-methylpyridine;hydrobromide
CID 67625699

Frequently Asked Questions

What is the IUPAC name of 5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one?
The IUPAC name of 5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one (CID 160581991) is 5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one?
The canonical SMILES for 5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one is O=C1c2ccccc2-c2ncccc21.c1ccc2c(c1)Cc1cccnc1-2.
What is the InChIKey of 5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one?
The InChIKey is RBXCMFHTWCJBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7NO.C12H9N/c14-12-9-5-2-1-4-8(9)11-10(12)6-3-7-13-11;1-2-6-11-9(4-1)8-10-5-3-7-13-12(10)11/h1-7H;1-7H,8H2.
What are the key properties of 5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one?
5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one has a molecular weight of 348.41 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-indeno[1,2-b]pyridine;indeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 160581991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).