N-(1-methoxyethenyl)-N-methylnitrous amide

C4H8N2O2 — CID 12630792

IUPACN-(1-methoxyethenyl)-N-methylnitrous amide
SMILESC=C(OC)N(C)N=O
InChIInChI=1S/C4H8N2O2/c1-4(8-3)6(2)5-7/h1H2,2-3H3
InChIKeyJUPBTJDRNFHBHO-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.72
Rot. Bonds3

About N-(1-methoxyethenyl)-N-methylnitrous amide

N-(1-methoxyethenyl)-N-methylnitrous amide (PubChem CID 12630792) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is N-(1-methoxyethenyl)-N-methylnitrous amide.

Molecular Properties

Compound NameN-(1-methoxyethenyl)-N-methylnitrous amide
PubChem CID12630792
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC NameN-(1-methoxyethenyl)-N-methylnitrous amide
SMILESC=C(OC)N(C)N=O
InChIInChI=1S/C4H8N2O2/c1-4(8-3)6(2)5-7/h1H2,2-3H3
InChIKeyJUPBTJDRNFHBHO-UHFFFAOYSA-N
XLogP0.72
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxyethenyl)-N-methylnitrous amide?
The IUPAC name of N-(1-methoxyethenyl)-N-methylnitrous amide (CID 12630792) is N-(1-methoxyethenyl)-N-methylnitrous amide.
What is the SMILES notation for N-(1-methoxyethenyl)-N-methylnitrous amide?
The canonical SMILES for N-(1-methoxyethenyl)-N-methylnitrous amide is C=C(OC)N(C)N=O.
What is the InChIKey of N-(1-methoxyethenyl)-N-methylnitrous amide?
The InChIKey is JUPBTJDRNFHBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-4(8-3)6(2)5-7/h1H2,2-3H3.
What are the key properties of N-(1-methoxyethenyl)-N-methylnitrous amide?
N-(1-methoxyethenyl)-N-methylnitrous amide has a molecular weight of 116.12 g/mol, XLogP of 0.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxyethenyl)-N-methylnitrous amide is sourced from PubChem (CID 12630792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).