3-(2-nitro-1-phenylethyl)-1H-indole

C16H14N2O2 — CID 2740778

IUPAC3-(2-nitro-1-phenylethyl)-1H-indole
SMILESO=[N+]([O-])CC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N2O2/c19-18(20)11-15(12-6-2-1-3-7-12)14-10-17-16-9-5-4-8-13(14)16/h1-10,15,17H,11H2
InChIKeyNTQBCZPFTAELGC-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.58
Rot. Bonds4

About 3-(2-nitro-1-phenylethyl)-1H-indole

3-(2-nitro-1-phenylethyl)-1H-indole (PubChem CID 2740778) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-(2-nitro-1-phenylethyl)-1H-indole.

Molecular Properties

Compound Name3-(2-nitro-1-phenylethyl)-1H-indole
PubChem CID2740778
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-(2-nitro-1-phenylethyl)-1H-indole
SMILESO=[N+]([O-])CC(c1ccccc1)c1c[nH]c2ccccc12
InChIInChI=1S/C16H14N2O2/c19-18(20)11-15(12-6-2-1-3-7-12)14-10-17-16-9-5-4-8-13(14)16/h1-10,15,17H,11H2
InChIKeyNTQBCZPFTAELGC-UHFFFAOYSA-N
XLogP3.58
TPSA58.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

3-[2-nitro-1-(3,4,5-trimethoxyphenyl)ethyl]-1H-indole
CID 24764118
5-methoxy-3-[(1R)-2-nitro-1-phenylethyl]-1H-indole
CID 93117865
5-methoxy-3-[(1S)-2-nitro-1-phenylethyl]-1H-indole
CID 93117864
4-bromo-3-(2-nitro-1-phenylethyl)-1H-indole
CID 76517350
3-[(2S)-3-methyl-1-nitrobutan-2-yl]-1H-indole
CID 102028785
1-ethyl-3-[1-(1H-indol-3-yl)-2-nitroethyl]indole
CID 15496000
2-(1H-indol-3-yl)-2-phenylethanamine
CID 609935
3-[2-nitro-1-(2-prop-2-ynoxyphenyl)ethyl]-1H-indole
CID 72673465
(2-nitro-1-phenylethyl)benzene
CID 11521460
3-[(2R)-1-nitrohexan-2-yl]-1H-indole
CID 134964800
5-methoxy-3-[(1R)-1-(4-methoxyphenyl)-2-nitroethyl]-1H-indole
CID 102154292
N-[2-(1H-indol-3-yl)-2-phenylethyl]-5-nitropyridin-2-amine
CID 46817468

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitro-1-phenylethyl)-1H-indole?
The IUPAC name of 3-(2-nitro-1-phenylethyl)-1H-indole (CID 2740778) is 3-(2-nitro-1-phenylethyl)-1H-indole.
What is the SMILES notation for 3-(2-nitro-1-phenylethyl)-1H-indole?
The canonical SMILES for 3-(2-nitro-1-phenylethyl)-1H-indole is O=[N+]([O-])CC(c1ccccc1)c1c[nH]c2ccccc12.
What is the InChIKey of 3-(2-nitro-1-phenylethyl)-1H-indole?
The InChIKey is NTQBCZPFTAELGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-18(20)11-15(12-6-2-1-3-7-12)14-10-17-16-9-5-4-8-13(14)16/h1-10,15,17H,11H2.
What are the key properties of 3-(2-nitro-1-phenylethyl)-1H-indole?
3-(2-nitro-1-phenylethyl)-1H-indole has a molecular weight of 266.30 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitro-1-phenylethyl)-1H-indole is sourced from PubChem (CID 2740778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).