2-(2-methoxy-1-nitroethenyl)-1H-indole

C11H10N2O3 — CID 154178374

IUPAC2-(2-methoxy-1-nitroethenyl)-1H-indole
SMILESCOC=C(c1cc2ccccc2[nH]1)[N+](=O)[O-]
InChIInChI=1S/C11H10N2O3/c1-16-7-11(13(14)15)10-6-8-4-2-3-5-9(8)12-10/h2-7,12H,1H3
InChIKeyNJMJNRDGCLDNDG-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.39
Rot. Bonds3

About 2-(2-methoxy-1-nitroethenyl)-1H-indole

2-(2-methoxy-1-nitroethenyl)-1H-indole (PubChem CID 154178374) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(2-methoxy-1-nitroethenyl)-1H-indole.

Molecular Properties

Compound Name2-(2-methoxy-1-nitroethenyl)-1H-indole
PubChem CID154178374
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-(2-methoxy-1-nitroethenyl)-1H-indole
SMILESCOC=C(c1cc2ccccc2[nH]1)[N+](=O)[O-]
InChIInChI=1S/C11H10N2O3/c1-16-7-11(13(14)15)10-6-8-4-2-3-5-9(8)12-10/h2-7,12H,1H3
InChIKeyNJMJNRDGCLDNDG-UHFFFAOYSA-N
XLogP2.39
TPSA68.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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-(2-nitroprop-1-enyl)-1H-indole
CID 140830257
2-nitroethyl 1H-indole-2-carboxylate
CID 142793675
ethane;1H-indole-2-carboxylic acid
CID 91052830
(4-nitrophenyl) 1H-indole-2-carboxylate
CID 19897924
1H-indole-2-carbothioic S-acid
CID 4713092
chloro 1H-indole-2-carboxylate
CID 68813525
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-1H-indole
CID 155367147
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
(Z)-3-(1H-indol-2-yl)-4-(3-nitrophenyl)but-3-en-2-one
CID 67850763
potassium N-oxido-1H-indole-2-carboxamide
CID 23661896
CID 58100929
CID 58100929
1H-indol-2-yl-(4-methoxy-1H-indol-2-yl)methanone
CID 11543838

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-1-nitroethenyl)-1H-indole?
The IUPAC name of 2-(2-methoxy-1-nitroethenyl)-1H-indole (CID 154178374) is 2-(2-methoxy-1-nitroethenyl)-1H-indole.
What is the SMILES notation for 2-(2-methoxy-1-nitroethenyl)-1H-indole?
The canonical SMILES for 2-(2-methoxy-1-nitroethenyl)-1H-indole is COC=C(c1cc2ccccc2[nH]1)[N+](=O)[O-].
What is the InChIKey of 2-(2-methoxy-1-nitroethenyl)-1H-indole?
The InChIKey is NJMJNRDGCLDNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-16-7-11(13(14)15)10-6-8-4-2-3-5-9(8)12-10/h2-7,12H,1H3.
What are the key properties of 2-(2-methoxy-1-nitroethenyl)-1H-indole?
2-(2-methoxy-1-nitroethenyl)-1H-indole has a molecular weight of 218.21 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-1-nitroethenyl)-1H-indole is sourced from PubChem (CID 154178374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).