4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one

C19H17N3O4 — CID 110427289

IUPAC4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CN1c1ccccc1
InChIInChI=1S/C19H17N3O4/c23-18-10-14(12-21(18)15-4-2-1-3-5-15)19(24)20-9-8-13-6-7-16(22(25)26)11-17(13)20/h1-7,11,14H,8-10,12H2
InChIKeyFJVDAEZQFMQJQE-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.54
Rot. Bonds3

About 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one

4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one (PubChem CID 110427289) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one
PubChem CID110427289
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CN1c1ccccc1
InChIInChI=1S/C19H17N3O4/c23-18-10-14(12-21(18)15-4-2-1-3-5-15)19(24)20-9-8-13-6-7-16(22(25)26)11-17(13)20/h1-7,11,14H,8-10,12H2
InChIKeyFJVDAEZQFMQJQE-UHFFFAOYSA-N
XLogP2.54
TPSA83.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.54
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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Related Compounds

1-(4-bromo-3-methylphenyl)-4-(6-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 55580429
1-phenyl-4-(5-pyrrolidin-1-yl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110634451
1-(2-fluoro-4-methylphenyl)-4-(5-nitro-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 55607622
3-(6-nitro-2,3-dihydroindole-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 74650206
N-(2-methyl-4-nitrophenyl)-1-(5-oxo-1-phenylpyrrolidine-3-carbonyl)piperidine-4-carboxamide
CID 17118580
(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7144527
(3R)-N-(4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 7325425
(4R)-4-(2,3-dihydroindole-1-carbonyl)-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 26290450
1-(2-carboxy-5-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691696
N-(2-methyl-4-nitrophenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17080530
(3R)-1-(3-nitrophenyl)-5-oxopyrrolidine-3-carboxylate
CID 6926305
[1-(4-bromobenzoyl)piperidin-4-yl]-(6-nitro-2,3-dihydroindol-1-yl)methanone
CID 37161630

Frequently Asked Questions

What is the IUPAC name of 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one (CID 110427289) is 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one is O=C1CC(C(=O)N2CCc3ccc([N+](=O)[O-])cc32)CN1c1ccccc1.
What is the InChIKey of 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one?
The InChIKey is FJVDAEZQFMQJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-18-10-14(12-21(18)15-4-2-1-3-5-15)19(24)20-9-8-13-6-7-16(22(25)26)11-17(13)20/h1-7,11,14H,8-10,12H2.
What are the key properties of 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one?
4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one has a molecular weight of 351.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-nitro-2,3-dihydroindole-1-carbonyl)-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 110427289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).