N-(1-acetamidobut-3-enyl)acetamide

C8H14N2O2 — CID 88635946

IUPACN-(1-acetamidobut-3-enyl)acetamide
SMILESC=CCC(NC(C)=O)NC(C)=O
InChIInChI=1S/C8H14N2O2/c1-4-5-8(9-6(2)11)10-7(3)12/h4,8H,1,5H2,2-3H3,(H,9,11)(H,10,12)
InChIKeyWEYKGCUESTUGNX-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.16
Rot. Bonds4

About N-(1-acetamidobut-3-enyl)acetamide

N-(1-acetamidobut-3-enyl)acetamide (PubChem CID 88635946) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is N-(1-acetamidobut-3-enyl)acetamide.

Molecular Properties

Compound NameN-(1-acetamidobut-3-enyl)acetamide
PubChem CID88635946
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC NameN-(1-acetamidobut-3-enyl)acetamide
SMILESC=CCC(NC(C)=O)NC(C)=O
InChIInChI=1S/C8H14N2O2/c1-4-5-8(9-6(2)11)10-7(3)12/h4,8H,1,5H2,2-3H3,(H,9,11)(H,10,12)
InChIKeyWEYKGCUESTUGNX-UHFFFAOYSA-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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methanol;molecular hydrogen;N-[(2S)-1-oxopent-4-en-2-yl]acetamide
CID 143137102
N-[(1R)-1-phenylbut-3-enyl]acetamide
CID 40521523
3-(2-acetamidopent-4-enoylamino)propanoic acid
CID 129260462
N-(2,3-dihydroxyhex-5-enyl)acetamide
CID 174926163
pent-4-en-2-ylcarbamic acid
CID 146626901
3-ethenylhex-5-en-2-one
CID 529432
N-(1-hydroxy-3-methylbutan-2-yl)-2-methylpent-4-enamide
CID 13435877
N-[(1S)-1-[(4R,5R)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl]acetamide
CID 102576535
3-ethylhex-5-en-2-one
CID 58995117
methyl (2E)-4-ethylhepta-2,6-dienoate
CID 12681348
2-acetamido-3-(prop-2-enyldisulfanyl)propanoic acid
CID 25124818
4-ethylhept-6-en-2-one
CID 87771917

Frequently Asked Questions

What is the IUPAC name of N-(1-acetamidobut-3-enyl)acetamide?
The IUPAC name of N-(1-acetamidobut-3-enyl)acetamide (CID 88635946) is N-(1-acetamidobut-3-enyl)acetamide.
What is the SMILES notation for N-(1-acetamidobut-3-enyl)acetamide?
The canonical SMILES for N-(1-acetamidobut-3-enyl)acetamide is C=CCC(NC(C)=O)NC(C)=O.
What is the InChIKey of N-(1-acetamidobut-3-enyl)acetamide?
The InChIKey is WEYKGCUESTUGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c1-4-5-8(9-6(2)11)10-7(3)12/h4,8H,1,5H2,2-3H3,(H,9,11)(H,10,12).
What are the key properties of N-(1-acetamidobut-3-enyl)acetamide?
N-(1-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-(1-acetamidobut-3-enyl)acetamide is sourced from PubChem (CID 88635946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).