[2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate

C11H12N2O5 — CID 131862758

IUPAC[2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1c(C=C[N+](=O)[O-])cccc1OC
InChIInChI=1S/C11H12N2O5/c1-12-11(14)18-10-8(6-7-13(15)16)4-3-5-9(10)17-2/h3-7H,1-2H3,(H,12,14)
InChIKeyGNUYFECWJVIPBG-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.66
Rot. Bonds4

About [2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate

[2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate (PubChem CID 131862758) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is [2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate
PubChem CID131862758
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name[2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1c(C=C[N+](=O)[O-])cccc1OC
InChIInChI=1S/C11H12N2O5/c1-12-11(14)18-10-8(6-7-13(15)16)4-3-5-9(10)17-2/h3-7H,1-2H3,(H,12,14)
InChIKeyGNUYFECWJVIPBG-UHFFFAOYSA-N
XLogP1.66
TPSA90.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-ethoxy-1-methoxy-3-[(Z)-2-nitroethenyl]benzene
CID 2060851
2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene
CID 896112
1,2-dimethoxy-3-methyl-4-(2-nitroethenyl)benzene
CID 131885427
3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene
CID 54212872
4,5-dimethoxy-2-[(E)-2-nitroethenyl]benzaldehyde
CID 134890164
(2-formyl-6-methoxyphenyl) 4-nitrobenzoate
CID 804045
2-ethoxy-6-(2-nitroethenyl)phenol
CID 2758749
1-methoxy-2-(2-nitroethenyl)naphthalene
CID 171137628
2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene
CID 15128232
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-2-methyl-3-nitrobenzamide
CID 94847959
1-ethoxy-3-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 71624359
N'-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-3-nitrobenzohydrazide
CID 9334106

Frequently Asked Questions

What is the IUPAC name of [2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate?
The IUPAC name of [2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate (CID 131862758) is [2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate.
What is the SMILES notation for [2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate?
The canonical SMILES for [2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate is CNC(=O)Oc1c(C=C[N+](=O)[O-])cccc1OC.
What is the InChIKey of [2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate?
The InChIKey is GNUYFECWJVIPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c1-12-11(14)18-10-8(6-7-13(15)16)4-3-5-9(10)17-2/h3-7H,1-2H3,(H,12,14).
What are the key properties of [2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate?
[2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate has a molecular weight of 252.23 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-6-(2-nitroethenyl)phenyl] N-methylcarbamate is sourced from PubChem (CID 131862758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).