N-but-3-en-2-ylidenepropanamide

C7H11NO — CID 123811078

IUPACN-but-3-en-2-ylidenepropanamide
SMILESC=C/C(C)=N/C(=O)CC
InChIInChI=1S/C7H11NO/c1-4-6(3)8-7(9)5-2/h4H,1,5H2,2-3H3/b8-6+
InChIKeyZUHCCNYHWJCJLZ-SOFGYWHQSA-N
MW125.17 g/mol
LogP1.57
Rot. Bonds2

About N-but-3-en-2-ylidenepropanamide

N-but-3-en-2-ylidenepropanamide (PubChem CID 123811078) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is N-but-3-en-2-ylidenepropanamide.

Molecular Properties

Compound NameN-but-3-en-2-ylidenepropanamide
PubChem CID123811078
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC NameN-but-3-en-2-ylidenepropanamide
SMILESC=C/C(C)=N/C(=O)CC
InChIInChI=1S/C7H11NO/c1-4-6(3)8-7(9)5-2/h4H,1,5H2,2-3H3/b8-6+
InChIKeyZUHCCNYHWJCJLZ-SOFGYWHQSA-N
XLogP1.57
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-ylidenepropanamide?
The IUPAC name of N-but-3-en-2-ylidenepropanamide (CID 123811078) is N-but-3-en-2-ylidenepropanamide.
What is the SMILES notation for N-but-3-en-2-ylidenepropanamide?
The canonical SMILES for N-but-3-en-2-ylidenepropanamide is C=C/C(C)=N/C(=O)CC.
What is the InChIKey of N-but-3-en-2-ylidenepropanamide?
The InChIKey is ZUHCCNYHWJCJLZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-6(3)8-7(9)5-2/h4H,1,5H2,2-3H3/b8-6+.
What are the key properties of N-but-3-en-2-ylidenepropanamide?
N-but-3-en-2-ylidenepropanamide has a molecular weight of 125.17 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-ylidenepropanamide is sourced from PubChem (CID 123811078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).