ethyl N-methyl-N-nitrocarbamate

C4H8N2O4 — CID 14381973

IUPACethyl N-methyl-N-nitrocarbamate
SMILESCCOC(=O)N(C)[N+](=O)[O-]
InChIInChI=1S/C4H8N2O4/c1-3-10-4(7)5(2)6(8)9/h3H2,1-2H3
InChIKeyFANDAIDNKDXDKE-UHFFFAOYSA-N
MW148.12 g/mol
LogP0.27
Rot. Bonds2

About ethyl N-methyl-N-nitrocarbamate

ethyl N-methyl-N-nitrocarbamate (PubChem CID 14381973) has the molecular formula C4H8N2O4 and a molecular weight of 148.12 g/mol. Its IUPAC name is ethyl N-methyl-N-nitrocarbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-nitrocarbamate
PubChem CID14381973
Molecular FormulaC4H8N2O4
Molecular Weight148.12 g/mol
Exact Mass148.05
IUPAC Nameethyl N-methyl-N-nitrocarbamate
SMILESCCOC(=O)N(C)[N+](=O)[O-]
InChIInChI=1S/C4H8N2O4/c1-3-10-4(7)5(2)6(8)9/h3H2,1-2H3
InChIKeyFANDAIDNKDXDKE-UHFFFAOYSA-N
XLogP0.27
TPSA72.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl N-methyl-N-nitrocarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N,N'-dimethyl-N-nitrocarbamimidate
CID 24753114
ethyl N-nitro-N-phenylcarbamate
CID 69016279
ethyl N,N-diaminocarbamate
CID 54365685
diethyl carbonate;N,N-dimethylmethanamine
CID 88502244
ethyl N,N-dimethyl-N'-nitrocarbamimidate
CID 87633154
ethyl N-[6-[ethoxycarbonyl(methyl)amino]hexyl]-N-methylcarbamate
CID 87185486
dichloroplatinum;ethyl N-chloro-N-[chloro(ethoxycarbonyl)carbamoyl]carbamate
CID 158006083
ethyl N-(3-amino-3-oxopropanoyl)-N-ethoxycarbonylcarbamate
CID 151456777
ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate
CID 86250669
ethyl N-acetyl-N-ethoxycarbonylcarbamate
CID 4688283
ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate
CID 123982120
ethyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103104222

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-nitrocarbamate?
The IUPAC name of ethyl N-methyl-N-nitrocarbamate (CID 14381973) is ethyl N-methyl-N-nitrocarbamate.
What is the SMILES notation for ethyl N-methyl-N-nitrocarbamate?
The canonical SMILES for ethyl N-methyl-N-nitrocarbamate is CCOC(=O)N(C)[N+](=O)[O-].
What is the InChIKey of ethyl N-methyl-N-nitrocarbamate?
The InChIKey is FANDAIDNKDXDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O4/c1-3-10-4(7)5(2)6(8)9/h3H2,1-2H3.
What are the key properties of ethyl N-methyl-N-nitrocarbamate?
ethyl N-methyl-N-nitrocarbamate has a molecular weight of 148.12 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-nitrocarbamate is sourced from PubChem (CID 14381973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).