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

C15H14N2O3 — CID 3137533

IUPAC3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C(C[N+](=O)[O-])c1ccco1
InChIInChI=1S/C15H14N2O3/c1-10-15(11-5-2-3-6-13(11)16-10)12(9-17(18)19)14-7-4-8-20-14/h2-8,12,16H,9H2,1H3
InChIKeyCFGJVNORMJDLID-UHFFFAOYSA-N
MW270.29 g/mol
LogP3.48
Rot. Bonds4

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

3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole (PubChem CID 3137533) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole
PubChem CID3137533
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1C(C[N+](=O)[O-])c1ccco1
InChIInChI=1S/C15H14N2O3/c1-10-15(11-5-2-3-6-13(11)16-10)12(9-17(18)19)14-7-4-8-20-14/h2-8,12,16H,9H2,1H3
InChIKeyCFGJVNORMJDLID-UHFFFAOYSA-N
XLogP3.48
TPSA72.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-3-[(1S)-1-(furan-2-yl)-2-nitroethyl]-1H-indole
CID 1185471
2-[(1R)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran
CID 101445871
2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran
CID 101445872
2-[(2R)-1-nitropropan-2-yl]furan
CID 11159438
3-(furan-2-yl)-2-(2-methyl-1H-indol-3-yl)propan-1-amine
CID 83976669
2-methyl-3-(4-nitro-1-phenylhexan-3-yl)-1H-indole
CID 101392784
2-(4-fluorophenyl)-3-(2-nitro-1-phenylethyl)-1H-indole
CID 71623048
2-(4-methoxyphenyl)-3-[(1S)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole
CID 1144826
3-[2-nitro-1-(1H-pyrrol-2-yl)ethyl]-2-phenyl-1H-indole
CID 162649835
3-[(1R)-1-(4-chlorophenyl)-2-nitroethyl]-2-phenyl-1H-indole
CID 7095446
(4R)-4-(2-methyl-1H-indol-3-yl)-4-phenylbutan-2-one
CID 101252963
3-[(1R)-2-nitro-1-pyridin-2-ylethyl]-2-phenyl-1H-indole
CID 71605070

Frequently Asked Questions

What is the IUPAC name of 3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole?
The IUPAC name of 3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole (CID 3137533) is 3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole?
The canonical SMILES for 3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1C(C[N+](=O)[O-])c1ccco1.
What is the InChIKey of 3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole?
The InChIKey is CFGJVNORMJDLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-10-15(11-5-2-3-6-13(11)16-10)12(9-17(18)19)14-7-4-8-20-14/h2-8,12,16H,9H2,1H3.
What are the key properties of 3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole?
3-[1-(furan-2-yl)-2-nitroethyl]-2-methyl-1H-indole has a molecular weight of 270.29 g/mol, XLogP of 3.48, 4 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-methyl-1H-indole is sourced from PubChem (CID 3137533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).