5-(3-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one

C18H14N2O3 — CID 71319561

IUPAC5-(3-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one
SMILESO=C1CCC2=C(N1)c1ccccc1C2c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N2O3/c21-16-9-8-15-17(11-4-3-5-12(10-11)20(22)23)13-6-1-2-7-14(13)18(15)19-16/h1-7,10,17H,8-9H2,(H,19,21)
InChIKeyFTYHZQGYDSXBHZ-UHFFFAOYSA-N
MW306.32 g/mol
LogP3.36
Rot. Bonds2

About 5-(3-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one

5-(3-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one (PubChem CID 71319561) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-(3-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one.

Molecular Properties

Compound Name5-(3-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one
PubChem CID71319561
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name5-(3-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one
SMILESO=C1CCC2=C(N1)c1ccccc1C2c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N2O3/c21-16-9-8-15-17(11-4-3-5-12(10-11)20(22)23)13-6-1-2-7-14(13)18(15)19-16/h1-7,10,17H,8-9H2,(H,19,21)
InChIKeyFTYHZQGYDSXBHZ-UHFFFAOYSA-N
XLogP3.36
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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CID 3628896
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3-(3-nitrophenyl)-6-oxa-9-azapentacyclo[11.7.0.02,10.04,8.014,19]icosa-1(13),2(10),4(8),11,14,16,18-heptaen-7-one
CID 139215349
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CID 10089760
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CID 66228283
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CID 129404329
2-(3-nitrophenyl)-2,3-dihydrochromen-4-one
CID 10084425
6,7-dimethyl-4-(3-nitrophenyl)-3,4-dihydro-1H-quinolin-2-one
CID 2916903
(2R)-3-cyclopropyl-2-(3-nitrophenyl)-1,2-dihydroquinazolin-4-one
CID 29429467

Frequently Asked Questions

What is the IUPAC name of 5-(3-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one?
The IUPAC name of 5-(3-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one (CID 71319561) is 5-(3-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one.
What is the SMILES notation for 5-(3-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one?
The canonical SMILES for 5-(3-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one is O=C1CCC2=C(N1)c1ccccc1C2c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 5-(3-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one?
The InChIKey is FTYHZQGYDSXBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c21-16-9-8-15-17(11-4-3-5-12(10-11)20(22)23)13-6-1-2-7-14(13)18(15)19-16/h1-7,10,17H,8-9H2,(H,19,21).
What are the key properties of 5-(3-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one?
5-(3-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one has a molecular weight of 306.32 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-nitrophenyl)-1,3,4,5-tetrahydroindeno[1,2-b]pyridin-2-one is sourced from PubChem (CID 71319561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).