N-[(Z)-but-2-enimidoyl]butanamide

C8H14N2O — CID 174076427

IUPACN-[(Z)-but-2-enimidoyl]butanamide
SMILES[H]/N=C(\C=C/C)NC(=O)CCC
InChIInChI=1S/C8H14N2O/c1-3-5-7(9)10-8(11)6-4-2/h3,5H,4,6H2,1-2H3,(H2,9,10,11)/b5-3-
InChIKeyNKWLRFYLEARIEC-HYXAFXHYSA-N
MW154.21 g/mol
LogP1.46
Rot. Bonds3

About N-[(Z)-but-2-enimidoyl]butanamide

N-[(Z)-but-2-enimidoyl]butanamide (PubChem CID 174076427) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is N-[(Z)-but-2-enimidoyl]butanamide.

Molecular Properties

Compound NameN-[(Z)-but-2-enimidoyl]butanamide
PubChem CID174076427
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC NameN-[(Z)-but-2-enimidoyl]butanamide
SMILES[H]/N=C(\C=C/C)NC(=O)CCC
InChIInChI=1S/C8H14N2O/c1-3-5-7(9)10-8(11)6-4-2/h3,5H,4,6H2,1-2H3,(H2,9,10,11)/b5-3-
InChIKeyNKWLRFYLEARIEC-HYXAFXHYSA-N
XLogP1.46
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-but-2-enimidoyl]butanamide?
The IUPAC name of N-[(Z)-but-2-enimidoyl]butanamide (CID 174076427) is N-[(Z)-but-2-enimidoyl]butanamide.
What is the SMILES notation for N-[(Z)-but-2-enimidoyl]butanamide?
The canonical SMILES for N-[(Z)-but-2-enimidoyl]butanamide is [H]/N=C(\C=C/C)NC(=O)CCC.
What is the InChIKey of N-[(Z)-but-2-enimidoyl]butanamide?
The InChIKey is NKWLRFYLEARIEC-HYXAFXHYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-5-7(9)10-8(11)6-4-2/h3,5H,4,6H2,1-2H3,(H2,9,10,11)/b5-3-.
What are the key properties of N-[(Z)-but-2-enimidoyl]butanamide?
N-[(Z)-but-2-enimidoyl]butanamide has a molecular weight of 154.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-but-2-enimidoyl]butanamide is sourced from PubChem (CID 174076427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).