2-methyl-3-nitro-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one

C19H14N2O3 — CID 3554733

IUPAC2-methyl-3-nitro-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one
SMILESCC1=C([N+](=O)[O-])C(c2ccccc2)C2=C(N1)c1ccccc1C2=O
InChIInChI=1S/C19H14N2O3/c1-11-18(21(23)24)15(12-7-3-2-4-8-12)16-17(20-11)13-9-5-6-10-14(13)19(16)22/h2-10,15,20H,1H3
InChIKeyILIGJLCVQCHEFR-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.49
Rot. Bonds2

About 2-methyl-3-nitro-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one

2-methyl-3-nitro-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one (PubChem CID 3554733) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-methyl-3-nitro-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name2-methyl-3-nitro-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one
PubChem CID3554733
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name2-methyl-3-nitro-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one
SMILESCC1=C([N+](=O)[O-])C(c2ccccc2)C2=C(N1)c1ccccc1C2=O
InChIInChI=1S/C19H14N2O3/c1-11-18(21(23)24)15(12-7-3-2-4-8-12)16-17(20-11)13-9-5-6-10-14(13)19(16)22/h2-10,15,20H,1H3
InChIKeyILIGJLCVQCHEFR-UHFFFAOYSA-N
XLogP3.49
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-nitro-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one?
The IUPAC name of 2-methyl-3-nitro-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one (CID 3554733) is 2-methyl-3-nitro-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for 2-methyl-3-nitro-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one?
The canonical SMILES for 2-methyl-3-nitro-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one is CC1=C([N+](=O)[O-])C(c2ccccc2)C2=C(N1)c1ccccc1C2=O.
What is the InChIKey of 2-methyl-3-nitro-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one?
The InChIKey is ILIGJLCVQCHEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-11-18(21(23)24)15(12-7-3-2-4-8-12)16-17(20-11)13-9-5-6-10-14(13)19(16)22/h2-10,15,20H,1H3.
What are the key properties of 2-methyl-3-nitro-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one?
2-methyl-3-nitro-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one has a molecular weight of 318.33 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-nitro-4-phenyl-1,4-dihydroindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 3554733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).