N,N-diethyl-2-isocyanopent-4-enamide

C10H16N2O — CID 135036989

IUPACN,N-diethyl-2-isocyanopent-4-enamide
SMILES[C-]#[N+]C(CC=C)C(=O)N(CC)CC
InChIInChI=1S/C10H16N2O/c1-5-8-9(11-4)10(13)12(6-2)7-3/h5,9H,1,6-8H2,2-3H3
InChIKeyBOYJSZFEJFYSHW-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.72
Rot. Bonds5

About N,N-diethyl-2-isocyanopent-4-enamide

N,N-diethyl-2-isocyanopent-4-enamide (PubChem CID 135036989) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is N,N-diethyl-2-isocyanopent-4-enamide.

Molecular Properties

Compound NameN,N-diethyl-2-isocyanopent-4-enamide
PubChem CID135036989
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC NameN,N-diethyl-2-isocyanopent-4-enamide
SMILES[C-]#[N+]C(CC=C)C(=O)N(CC)CC
InChIInChI=1S/C10H16N2O/c1-5-8-9(11-4)10(13)12(6-2)7-3/h5,9H,1,6-8H2,2-3H3
InChIKeyBOYJSZFEJFYSHW-UHFFFAOYSA-N
XLogP1.72
TPSA24.67 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.72
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 N,N-diethyl-2-isocyanopent-4-enamide?
The IUPAC name of N,N-diethyl-2-isocyanopent-4-enamide (CID 135036989) is N,N-diethyl-2-isocyanopent-4-enamide.
What is the SMILES notation for N,N-diethyl-2-isocyanopent-4-enamide?
The canonical SMILES for N,N-diethyl-2-isocyanopent-4-enamide is [C-]#[N+]C(CC=C)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-isocyanopent-4-enamide?
The InChIKey is BOYJSZFEJFYSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-8-9(11-4)10(13)12(6-2)7-3/h5,9H,1,6-8H2,2-3H3.
What are the key properties of N,N-diethyl-2-isocyanopent-4-enamide?
N,N-diethyl-2-isocyanopent-4-enamide has a molecular weight of 180.25 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-isocyanopent-4-enamide is sourced from PubChem (CID 135036989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).