N-methyl-N-prop-2-enylnitramide

C4H8N2O2 — CID 13261476

IUPACN-methyl-N-prop-2-enylnitramide
SMILESC=CCN(C)[N+](=O)[O-]
InChIInChI=1S/C4H8N2O2/c1-3-4-5(2)6(7)8/h3H,1,4H2,2H3
InChIKeyMXHLRYRJHQOYSP-UHFFFAOYSA-N
MW116.12 g/mol
LogP0.30
Rot. Bonds3

About N-methyl-N-prop-2-enylnitramide

N-methyl-N-prop-2-enylnitramide (PubChem CID 13261476) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is N-methyl-N-prop-2-enylnitramide.

Molecular Properties

Compound NameN-methyl-N-prop-2-enylnitramide
PubChem CID13261476
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC NameN-methyl-N-prop-2-enylnitramide
SMILESC=CCN(C)[N+](=O)[O-]
InChIInChI=1S/C4H8N2O2/c1-3-4-5(2)6(7)8/h3H,1,4H2,2H3
InChIKeyMXHLRYRJHQOYSP-UHFFFAOYSA-N
XLogP0.30
TPSA46.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', '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-methyl-N-prop-2-enylnitramide?
The IUPAC name of N-methyl-N-prop-2-enylnitramide (CID 13261476) is N-methyl-N-prop-2-enylnitramide.
What is the SMILES notation for N-methyl-N-prop-2-enylnitramide?
The canonical SMILES for N-methyl-N-prop-2-enylnitramide is C=CCN(C)[N+](=O)[O-].
What is the InChIKey of N-methyl-N-prop-2-enylnitramide?
The InChIKey is MXHLRYRJHQOYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-3-4-5(2)6(7)8/h3H,1,4H2,2H3.
What are the key properties of N-methyl-N-prop-2-enylnitramide?
N-methyl-N-prop-2-enylnitramide has a molecular weight of 116.12 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enylnitramide is sourced from PubChem (CID 13261476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).