2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone

C16H14N2O4 — CID 47845275

IUPAC2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C16H14N2O4/c1-22-12-6-7-15(18(20)21)13(10-12)16(19)17-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9H2,1H3
InChIKeyMVVABIPFPXNNQQ-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.81
Rot. Bonds3

About 2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone

2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone (PubChem CID 47845275) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone
PubChem CID47845275
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone
SMILESCOc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C16H14N2O4/c1-22-12-6-7-15(18(20)21)13(10-12)16(19)17-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9H2,1H3
InChIKeyMVVABIPFPXNNQQ-UHFFFAOYSA-N
XLogP2.81
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.81
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

2,3-dihydroindol-1-yl-(4-methoxy-3-nitrophenyl)methanone
CID 786941
2,3-dihydroindol-1-yl-(3,5-dimethoxyphenyl)methanone
CID 687165
2-(2,3-dihydroindole-1-carbonyl)-6-nitrobenzoic acid
CID 4313762
1-[2-(5-methoxy-2,3-dihydroindole-1-carbonyl)phenyl]ethanone
CID 122143793
1-(5-methoxy-2-nitrobenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 75428742
(6aS)-5-(5-methoxy-2-nitrobenzoyl)-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
CID 46189172
methyl 5-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]-2-nitrobenzoate
CID 133285144
2,3-dihydroindol-1-yl-(6-methoxyquinolin-2-yl)methanone
CID 33314487
(3-methoxyphenyl)-(7-nitro-2,3-dihydroindol-1-yl)methanone
CID 112537037
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
2,3-dihydroindol-1-yl-[4-(4-methoxyanilino)-2-pyridinyl]methanone
CID 109219537
1,4-diazepan-1-yl-(5-methoxy-2-nitrophenyl)methanone
CID 119414786

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone (CID 47845275) is 2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone is COc1ccc([N+](=O)[O-])c(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of 2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone?
The InChIKey is MVVABIPFPXNNQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-22-12-6-7-15(18(20)21)13(10-12)16(19)17-9-8-11-4-2-3-5-14(11)17/h2-7,10H,8-9H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone?
2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone has a molecular weight of 298.30 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(5-methoxy-2-nitrophenyl)methanone is sourced from PubChem (CID 47845275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).