6-methoxy-3-(2-nitroethyl)-1H-indole

C11H12N2O3 — CID 71331242

IUPAC6-methoxy-3-(2-nitroethyl)-1H-indole
SMILESCOc1ccc2c(CC[N+](=O)[O-])c[nH]c2c1
InChIInChI=1S/C11H12N2O3/c1-16-9-2-3-10-8(4-5-13(14)15)7-12-11(10)6-9/h2-3,6-7,12H,4-5H2,1H3
InChIKeyQEHSFHYUYBSZDH-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.00
Rot. Bonds4

About 6-methoxy-3-(2-nitroethyl)-1H-indole

6-methoxy-3-(2-nitroethyl)-1H-indole (PubChem CID 71331242) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6-methoxy-3-(2-nitroethyl)-1H-indole.

Molecular Properties

Compound Name6-methoxy-3-(2-nitroethyl)-1H-indole
PubChem CID71331242
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name6-methoxy-3-(2-nitroethyl)-1H-indole
SMILESCOc1ccc2c(CC[N+](=O)[O-])c[nH]c2c1
InChIInChI=1S/C11H12N2O3/c1-16-9-2-3-10-8(4-5-13(14)15)7-12-11(10)6-9/h2-3,6-7,12H,4-5H2,1H3
InChIKeyQEHSFHYUYBSZDH-UHFFFAOYSA-N
XLogP2.00
TPSA68.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.00
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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Related Compounds

6-isocyano-3-(2-nitroethyl)-1H-indole
CID 163597212
3-(6-methoxy-1H-indol-3-yl)propanenitrile
CID 82491461
6-methoxy-3-(3-methylpentyl)-1H-indole
CID 156642145
4-(6-methoxy-1H-indol-3-yl)butane-2,2-diamine
CID 19837016
3-[(5-methoxy-1H-indol-3-yl)methyl]-6-nitro-1H-indole
CID 166517333
2-[2-(6-methoxy-1H-indol-3-yl)ethylamino]acetonitrile
CID 19837019
1-(6-methoxy-1H-indol-3-yl)propan-2-amine;hydrochloride
CID 2965218
5-methoxy-3-(2-nitroethyl)-1H-pyrrolo[3,2-b]pyridine
CID 639514
N-[2-(6-methoxy-1H-indol-3-yl)ethyl]-3,5-dimethylbenzamide
CID 4887560
N-[(4-chlorophenyl)methyl]-2-(6-methoxy-1H-indol-3-yl)ethanamine
CID 17053018
6-methoxy-3-(piperidin-4-ylmethyl)-1H-indole
CID 82497673
2-bromo-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-nitroaniline
CID 24850653

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(2-nitroethyl)-1H-indole?
The IUPAC name of 6-methoxy-3-(2-nitroethyl)-1H-indole (CID 71331242) is 6-methoxy-3-(2-nitroethyl)-1H-indole.
What is the SMILES notation for 6-methoxy-3-(2-nitroethyl)-1H-indole?
The canonical SMILES for 6-methoxy-3-(2-nitroethyl)-1H-indole is COc1ccc2c(CC[N+](=O)[O-])c[nH]c2c1.
What is the InChIKey of 6-methoxy-3-(2-nitroethyl)-1H-indole?
The InChIKey is QEHSFHYUYBSZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-9-2-3-10-8(4-5-13(14)15)7-12-11(10)6-9/h2-3,6-7,12H,4-5H2,1H3.
What are the key properties of 6-methoxy-3-(2-nitroethyl)-1H-indole?
6-methoxy-3-(2-nitroethyl)-1H-indole has a molecular weight of 220.23 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(2-nitroethyl)-1H-indole is sourced from PubChem (CID 71331242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).