2-isocyano-N-methyl-N-prop-2-enylacetamide

C7H10N2O — CID 55265313

IUPAC2-isocyano-N-methyl-N-prop-2-enylacetamide
SMILES[C-]#[N+]CC(=O)N(C)CC=C
InChIInChI=1S/C7H10N2O/c1-4-5-9(3)7(10)6-8-2/h4H,1,5-6H2,3H3
InChIKeyVFLSANLTHGXOEC-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.55
Rot. Bonds3

About 2-isocyano-N-methyl-N-prop-2-enylacetamide

2-isocyano-N-methyl-N-prop-2-enylacetamide (PubChem CID 55265313) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-isocyano-N-methyl-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-isocyano-N-methyl-N-prop-2-enylacetamide
PubChem CID55265313
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2-isocyano-N-methyl-N-prop-2-enylacetamide
SMILES[C-]#[N+]CC(=O)N(C)CC=C
InChIInChI=1S/C7H10N2O/c1-4-5-9(3)7(10)6-8-2/h4H,1,5-6H2,3H3
InChIKeyVFLSANLTHGXOEC-UHFFFAOYSA-N
XLogP0.55
TPSA24.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-isocyano-N-methyl-N-prop-2-enylacetamide?
The IUPAC name of 2-isocyano-N-methyl-N-prop-2-enylacetamide (CID 55265313) is 2-isocyano-N-methyl-N-prop-2-enylacetamide.
What is the SMILES notation for 2-isocyano-N-methyl-N-prop-2-enylacetamide?
The canonical SMILES for 2-isocyano-N-methyl-N-prop-2-enylacetamide is [C-]#[N+]CC(=O)N(C)CC=C.
What is the InChIKey of 2-isocyano-N-methyl-N-prop-2-enylacetamide?
The InChIKey is VFLSANLTHGXOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-4-5-9(3)7(10)6-8-2/h4H,1,5-6H2,3H3.
What are the key properties of 2-isocyano-N-methyl-N-prop-2-enylacetamide?
2-isocyano-N-methyl-N-prop-2-enylacetamide has a molecular weight of 138.17 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-N-methyl-N-prop-2-enylacetamide is sourced from PubChem (CID 55265313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).