N-[(E)-but-1-enyl]-N-propylacetamide

C9H17NO — CID 13169223

IUPACN-[(E)-but-1-enyl]-N-propylacetamide
SMILESCC/C=C/N(CCC)C(C)=O
InChIInChI=1S/C9H17NO/c1-4-6-8-10(7-5-2)9(3)11/h6,8H,4-5,7H2,1-3H3/b8-6+
InChIKeyADSZYVVGUAIKJS-SOFGYWHQSA-N
MW155.24 g/mol
LogP2.17
Rot. Bonds4

About N-[(E)-but-1-enyl]-N-propylacetamide

N-[(E)-but-1-enyl]-N-propylacetamide (PubChem CID 13169223) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[(E)-but-1-enyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[(E)-but-1-enyl]-N-propylacetamide
PubChem CID13169223
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-[(E)-but-1-enyl]-N-propylacetamide
SMILESCC/C=C/N(CCC)C(C)=O
InChIInChI=1S/C9H17NO/c1-4-6-8-10(7-5-2)9(3)11/h6,8H,4-5,7H2,1-3H3/b8-6+
InChIKeyADSZYVVGUAIKJS-SOFGYWHQSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-1-enyl]-N-propylacetamide?
The IUPAC name of N-[(E)-but-1-enyl]-N-propylacetamide (CID 13169223) is N-[(E)-but-1-enyl]-N-propylacetamide.
What is the SMILES notation for N-[(E)-but-1-enyl]-N-propylacetamide?
The canonical SMILES for N-[(E)-but-1-enyl]-N-propylacetamide is CC/C=C/N(CCC)C(C)=O.
What is the InChIKey of N-[(E)-but-1-enyl]-N-propylacetamide?
The InChIKey is ADSZYVVGUAIKJS-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H17NO/c1-4-6-8-10(7-5-2)9(3)11/h6,8H,4-5,7H2,1-3H3/b8-6+.
What are the key properties of N-[(E)-but-1-enyl]-N-propylacetamide?
N-[(E)-but-1-enyl]-N-propylacetamide has a molecular weight of 155.24 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-1-enyl]-N-propylacetamide is sourced from PubChem (CID 13169223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).