2,3-dihydroindol-1-yl-(5-nitrofuran-2-yl)methanone

C13H10N2O4 — CID 762594

IUPAC2,3-dihydroindol-1-yl-(5-nitrofuran-2-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CCc2ccccc21
InChIInChI=1S/C13H10N2O4/c16-13(11-5-6-12(19-11)15(17)18)14-8-7-9-3-1-2-4-10(9)14/h1-6H,7-8H2
InChIKeyXGNYLISTMQLCKZ-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.39
Rot. Bonds2

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

2,3-dihydroindol-1-yl-(5-nitrofuran-2-yl)methanone (PubChem CID 762594) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(5-nitrofuran-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(5-nitrofuran-2-yl)methanone
PubChem CID762594
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name2,3-dihydroindol-1-yl-(5-nitrofuran-2-yl)methanone
SMILESO=C(c1ccc([N+](=O)[O-])o1)N1CCc2ccccc21
InChIInChI=1S/C13H10N2O4/c16-13(11-5-6-12(19-11)15(17)18)14-8-7-9-3-1-2-4-10(9)14/h1-6H,7-8H2
InChIKeyXGNYLISTMQLCKZ-UHFFFAOYSA-N
XLogP2.39
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.39
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

(4-Benzylpiperazin-1-yl)(5-nitrofuran-2-yl)methanone
CID 726209
1-(2,3-Dimethylphenyl)-4-[(5-nitro-2-furyl)methyl]piperazine
CID 1377281
5-nitro-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 757090
N-benzyl-5-nitrofuran-2-carboxamide
CID 2796393
N-benzyl-N-(3-nitrophenyl)-2-furamide
CID 721291
N-[4-(4-benzoyl-1-piperazinyl)phenyl]-5-nitro-2-furamide
CID 2980954
N-(3,5-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 757048
1-(2-Methylphenyl)-4-[(5-nitro-2-furyl)methyl]piperazine
CID 785711
N-(2,4-dimethylphenyl)-5-nitrofuran-2-carboxamide
CID 799289
5-Nitro-furan-2-carboxylic acid naphthalen-1-ylamide
CID 838079
2-Methyl-1-(5-methyl-2-furoyl)indoline
CID 2971468
5-nitro-N-[2-(pyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 2996559

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(5-nitrofuran-2-yl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(5-nitrofuran-2-yl)methanone (CID 762594) is 2,3-dihydroindol-1-yl-(5-nitrofuran-2-yl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(5-nitrofuran-2-yl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(5-nitrofuran-2-yl)methanone is O=C(c1ccc([N+](=O)[O-])o1)N1CCc2ccccc21.
What is the InChIKey of 2,3-dihydroindol-1-yl-(5-nitrofuran-2-yl)methanone?
The InChIKey is XGNYLISTMQLCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-13(11-5-6-12(19-11)15(17)18)14-8-7-9-3-1-2-4-10(9)14/h1-6H,7-8H2.
What are the key properties of 2,3-dihydroindol-1-yl-(5-nitrofuran-2-yl)methanone?
2,3-dihydroindol-1-yl-(5-nitrofuran-2-yl)methanone has a molecular weight of 258.23 g/mol, XLogP of 2.39, 2 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-nitrofuran-2-yl)methanone is sourced from PubChem (CID 762594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).