N-[(E)-4-acetamidobut-3-enyl]acetamide

C8H14N2O2 — CID 14475984

IUPACN-[(E)-4-acetamidobut-3-enyl]acetamide
SMILESCC(=O)N/C=C/CCNC(C)=O
InChIInChI=1S/C8H14N2O2/c1-7(11)9-5-3-4-6-10-8(2)12/h3,5H,4,6H2,1-2H3,(H,9,11)(H,10,12)/b5-3+
InChIKeyRUMJMRPMIPEPET-HWKANZROSA-N
MW170.21 g/mol
LogP0.16
Rot. Bonds4

About N-[(E)-4-acetamidobut-3-enyl]acetamide

N-[(E)-4-acetamidobut-3-enyl]acetamide (PubChem CID 14475984) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-[(E)-4-acetamidobut-3-enyl]acetamide.

Molecular Properties

Compound NameN-[(E)-4-acetamidobut-3-enyl]acetamide
PubChem CID14475984
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-[(E)-4-acetamidobut-3-enyl]acetamide
SMILESCC(=O)N/C=C/CCNC(C)=O
InChIInChI=1S/C8H14N2O2/c1-7(11)9-5-3-4-6-10-8(2)12/h3,5H,4,6H2,1-2H3,(H,9,11)(H,10,12)/b5-3+
InChIKeyRUMJMRPMIPEPET-HWKANZROSA-N
XLogP0.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-acetamidobut-3-enyl]acetamide?
The IUPAC name of N-[(E)-4-acetamidobut-3-enyl]acetamide (CID 14475984) is N-[(E)-4-acetamidobut-3-enyl]acetamide.
What is the SMILES notation for N-[(E)-4-acetamidobut-3-enyl]acetamide?
The canonical SMILES for N-[(E)-4-acetamidobut-3-enyl]acetamide is CC(=O)N/C=C/CCNC(C)=O.
What is the InChIKey of N-[(E)-4-acetamidobut-3-enyl]acetamide?
The InChIKey is RUMJMRPMIPEPET-HWKANZROSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-7(11)9-5-3-4-6-10-8(2)12/h3,5H,4,6H2,1-2H3,(H,9,11)(H,10,12)/b5-3+.
What are the key properties of N-[(E)-4-acetamidobut-3-enyl]acetamide?
N-[(E)-4-acetamidobut-3-enyl]acetamide has a molecular weight of 170.21 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-acetamidobut-3-enyl]acetamide is sourced from PubChem (CID 14475984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).