3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole

C20H16N2O3 — CID 3385437

IUPAC3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole
SMILESO=[N+]([O-])CC(c1ccco1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C20H16N2O3/c23-22(24)13-16(18-11-6-12-25-18)19-15-9-4-5-10-17(15)21-20(19)14-7-2-1-3-8-14/h1-12,16,21H,13H2
InChIKeyRYOZXDJCTOEOFN-UHFFFAOYSA-N
MW332.36 g/mol
LogP4.84
Rot. Bonds5

About 3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole

3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole (PubChem CID 3385437) has the molecular formula C20H16N2O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole.

Molecular Properties

Compound Name3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole
PubChem CID3385437
Molecular FormulaC20H16N2O3
Molecular Weight332.36 g/mol
Exact Mass332.12
IUPAC Name3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole
SMILESO=[N+]([O-])CC(c1ccco1)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C20H16N2O3/c23-22(24)13-16(18-11-6-12-25-18)19-15-9-4-5-10-17(15)21-20(19)14-7-2-1-3-8-14/h1-12,16,21H,13H2
InChIKeyRYOZXDJCTOEOFN-UHFFFAOYSA-N
XLogP4.84
TPSA72.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole?
The IUPAC name of 3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole (CID 3385437) is 3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole.
What is the SMILES notation for 3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole?
The canonical SMILES for 3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole is O=[N+]([O-])CC(c1ccco1)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole?
The InChIKey is RYOZXDJCTOEOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3/c23-22(24)13-16(18-11-6-12-25-18)19-15-9-4-5-10-17(15)21-20(19)14-7-2-1-3-8-14/h1-12,16,21H,13H2.
What are the key properties of 3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole?
3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole has a molecular weight of 332.36 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(furan-2-yl)-2-nitroethyl]-2-phenyl-1H-indole is sourced from PubChem (CID 3385437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).