N-(isocyanomethyl)-N-methylpropanamide

C6H10N2O — CID 21031067

IUPACN-(isocyanomethyl)-N-methylpropanamide
SMILES[C-]#[N+]CN(C)C(=O)CC
InChIInChI=1S/C6H10N2O/c1-4-6(9)8(3)5-7-2/h4-5H2,1,3H3
InChIKeyRVJVUUXOIPOULW-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.73
Rot. Bonds2

About N-(isocyanomethyl)-N-methylpropanamide

N-(isocyanomethyl)-N-methylpropanamide (PubChem CID 21031067) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is N-(isocyanomethyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(isocyanomethyl)-N-methylpropanamide
PubChem CID21031067
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC NameN-(isocyanomethyl)-N-methylpropanamide
SMILES[C-]#[N+]CN(C)C(=O)CC
InChIInChI=1S/C6H10N2O/c1-4-6(9)8(3)5-7-2/h4-5H2,1,3H3
InChIKeyRVJVUUXOIPOULW-UHFFFAOYSA-N
XLogP0.73
TPSA24.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(isocyanomethyl)-N-methylpropanamide?
The IUPAC name of N-(isocyanomethyl)-N-methylpropanamide (CID 21031067) is N-(isocyanomethyl)-N-methylpropanamide.
What is the SMILES notation for N-(isocyanomethyl)-N-methylpropanamide?
The canonical SMILES for N-(isocyanomethyl)-N-methylpropanamide is [C-]#[N+]CN(C)C(=O)CC.
What is the InChIKey of N-(isocyanomethyl)-N-methylpropanamide?
The InChIKey is RVJVUUXOIPOULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4-6(9)8(3)5-7-2/h4-5H2,1,3H3.
What are the key properties of N-(isocyanomethyl)-N-methylpropanamide?
N-(isocyanomethyl)-N-methylpropanamide has a molecular weight of 126.16 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isocyanomethyl)-N-methylpropanamide is sourced from PubChem (CID 21031067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).