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

C19H14N2O3 — CID 7700112

IUPAC(4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one
SMILESCC1=NC2=C(C(=O)c3ccccc32)[C@H](c2ccccc2)C1[N+](=O)[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/h2-10,15,18H,1H3/t15-,18?/m0/s1
InChIKeyYUQOQPPOBJNCEH-BUSXIPJBSA-N
MW318.33 g/mol
LogP3.50
Rot. Bonds2

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

(4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one (PubChem CID 7700112) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is (4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one.

Molecular Properties

Compound Name(4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one
PubChem CID7700112
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name(4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one
SMILESCC1=NC2=C(C(=O)c3ccccc32)[C@H](c2ccccc2)C1[N+](=O)[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/h2-10,15,18H,1H3/t15-,18?/m0/s1
InChIKeyYUQOQPPOBJNCEH-BUSXIPJBSA-N
XLogP3.50
TPSA72.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
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 (4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one?
The IUPAC name of (4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one (CID 7700112) is (4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one.
What is the SMILES notation for (4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one?
The canonical SMILES for (4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one is CC1=NC2=C(C(=O)c3ccccc32)[C@H](c2ccccc2)C1[N+](=O)[O-].
What is the InChIKey of (4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one?
The InChIKey is YUQOQPPOBJNCEH-BUSXIPJBSA-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/h2-10,15,18H,1H3/t15-,18?/m0/s1.
What are the key properties of (4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one?
(4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one has a molecular weight of 318.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-methyl-3-nitro-4-phenyl-3,4-dihydroindeno[1,2-b]pyridin-5-one is sourced from PubChem (CID 7700112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).