2-isocyano-4-methyl-N-prop-2-enylpentanamide

C10H16N2O — CID 55265314

IUPAC2-isocyano-4-methyl-N-prop-2-enylpentanamide
SMILES[C-]#[N+]C(CC(C)C)C(=O)NCC=C
InChIInChI=1S/C10H16N2O/c1-5-6-12-10(13)9(11-4)7-8(2)3/h5,8-9H,1,6-7H2,2-3H3,(H,12,13)
InChIKeyXNLMAPOZYJGXDC-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.62
Rot. Bonds5

About 2-isocyano-4-methyl-N-prop-2-enylpentanamide

2-isocyano-4-methyl-N-prop-2-enylpentanamide (PubChem CID 55265314) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-isocyano-4-methyl-N-prop-2-enylpentanamide.

Molecular Properties

Compound Name2-isocyano-4-methyl-N-prop-2-enylpentanamide
PubChem CID55265314
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-isocyano-4-methyl-N-prop-2-enylpentanamide
SMILES[C-]#[N+]C(CC(C)C)C(=O)NCC=C
InChIInChI=1S/C10H16N2O/c1-5-6-12-10(13)9(11-4)7-8(2)3/h5,8-9H,1,6-7H2,2-3H3,(H,12,13)
InChIKeyXNLMAPOZYJGXDC-UHFFFAOYSA-N
XLogP1.62
TPSA33.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-isocyano-4-methyl-N-prop-2-enylpentanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-isocyano-4-methyl-N-prop-2-enylpentanamide?
The IUPAC name of 2-isocyano-4-methyl-N-prop-2-enylpentanamide (CID 55265314) is 2-isocyano-4-methyl-N-prop-2-enylpentanamide.
What is the SMILES notation for 2-isocyano-4-methyl-N-prop-2-enylpentanamide?
The canonical SMILES for 2-isocyano-4-methyl-N-prop-2-enylpentanamide is [C-]#[N+]C(CC(C)C)C(=O)NCC=C.
What is the InChIKey of 2-isocyano-4-methyl-N-prop-2-enylpentanamide?
The InChIKey is XNLMAPOZYJGXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-6-12-10(13)9(11-4)7-8(2)3/h5,8-9H,1,6-7H2,2-3H3,(H,12,13).
What are the key properties of 2-isocyano-4-methyl-N-prop-2-enylpentanamide?
2-isocyano-4-methyl-N-prop-2-enylpentanamide has a molecular weight of 180.25 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isocyano-4-methyl-N-prop-2-enylpentanamide is sourced from PubChem (CID 55265314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).