methyl N-(2-nitrosophenyl)carbamate

C8H8N2O3 — CID 45122951

IUPACmethyl N-(2-nitrosophenyl)carbamate
SMILESCOC(=O)Nc1ccccc1N=O
InChIInChI=1S/C8H8N2O3/c1-13-8(11)9-6-4-2-3-5-7(6)10-12/h2-5H,1H3,(H,9,11)
InChIKeyFXQDFNRCOJXQAH-UHFFFAOYSA-N
MW180.16 g/mol
LogP2.26
Rot. Bonds2

About methyl N-(2-nitrosophenyl)carbamate

methyl N-(2-nitrosophenyl)carbamate (PubChem CID 45122951) has the molecular formula C8H8N2O3 and a molecular weight of 180.16 g/mol. Its IUPAC name is methyl N-(2-nitrosophenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-nitrosophenyl)carbamate
PubChem CID45122951
Molecular FormulaC8H8N2O3
Molecular Weight180.16 g/mol
Exact Mass180.05
IUPAC Namemethyl N-(2-nitrosophenyl)carbamate
SMILESCOC(=O)Nc1ccccc1N=O
InChIInChI=1S/C8H8N2O3/c1-13-8(11)9-6-4-2-3-5-7(6)10-12/h2-5H,1H3,(H,9,11)
InChIKeyFXQDFNRCOJXQAH-UHFFFAOYSA-N
XLogP2.26
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.16
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-nitrosophenyl)carbamate?
The IUPAC name of methyl N-(2-nitrosophenyl)carbamate (CID 45122951) is methyl N-(2-nitrosophenyl)carbamate.
What is the SMILES notation for methyl N-(2-nitrosophenyl)carbamate?
The canonical SMILES for methyl N-(2-nitrosophenyl)carbamate is COC(=O)Nc1ccccc1N=O.
What is the InChIKey of methyl N-(2-nitrosophenyl)carbamate?
The InChIKey is FXQDFNRCOJXQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O3/c1-13-8(11)9-6-4-2-3-5-7(6)10-12/h2-5H,1H3,(H,9,11).
What are the key properties of methyl N-(2-nitrosophenyl)carbamate?
methyl N-(2-nitrosophenyl)carbamate has a molecular weight of 180.16 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-nitrosophenyl)carbamate is sourced from PubChem (CID 45122951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).