N-but-3-enyl-N-ethenylacetamide

C8H13NO — CID 15812115

IUPACN-but-3-enyl-N-ethenylacetamide
SMILESC=CCCN(C=C)C(C)=O
InChIInChI=1S/C8H13NO/c1-4-6-7-9(5-2)8(3)10/h4-5H,1-2,6-7H2,3H3
InChIKeyMDZRRZOHKRHAAL-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.55
Rot. Bonds4

About N-but-3-enyl-N-ethenylacetamide

N-but-3-enyl-N-ethenylacetamide (PubChem CID 15812115) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is N-but-3-enyl-N-ethenylacetamide.

Molecular Properties

Compound NameN-but-3-enyl-N-ethenylacetamide
PubChem CID15812115
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC NameN-but-3-enyl-N-ethenylacetamide
SMILESC=CCCN(C=C)C(C)=O
InChIInChI=1S/C8H13NO/c1-4-6-7-9(5-2)8(3)10/h4-5H,1-2,6-7H2,3H3
InChIKeyMDZRRZOHKRHAAL-UHFFFAOYSA-N
XLogP1.55
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-N-ethenylacetamide?
The IUPAC name of N-but-3-enyl-N-ethenylacetamide (CID 15812115) is N-but-3-enyl-N-ethenylacetamide.
What is the SMILES notation for N-but-3-enyl-N-ethenylacetamide?
The canonical SMILES for N-but-3-enyl-N-ethenylacetamide is C=CCCN(C=C)C(C)=O.
What is the InChIKey of N-but-3-enyl-N-ethenylacetamide?
The InChIKey is MDZRRZOHKRHAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-6-7-9(5-2)8(3)10/h4-5H,1-2,6-7H2,3H3.
What are the key properties of N-but-3-enyl-N-ethenylacetamide?
N-but-3-enyl-N-ethenylacetamide has a molecular weight of 139.20 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-N-ethenylacetamide is sourced from PubChem (CID 15812115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).