3-acetamidobut-3-enyl acetate

C8H13NO3 — CID 130179468

IUPAC3-acetamidobut-3-enyl acetate
SMILESC=C(CCOC(C)=O)NC(C)=O
InChIInChI=1S/C8H13NO3/c1-6(9-7(2)10)4-5-12-8(3)11/h1,4-5H2,2-3H3,(H,9,10)
InChIKeyJBOBFNSBXPICKM-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.59
Rot. Bonds4

About 3-acetamidobut-3-enyl acetate

3-acetamidobut-3-enyl acetate (PubChem CID 130179468) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-acetamidobut-3-enyl acetate.

Molecular Properties

Compound Name3-acetamidobut-3-enyl acetate
PubChem CID130179468
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-acetamidobut-3-enyl acetate
SMILESC=C(CCOC(C)=O)NC(C)=O
InChIInChI=1S/C8H13NO3/c1-6(9-7(2)10)4-5-12-8(3)11/h1,4-5H2,2-3H3,(H,9,10)
InChIKeyJBOBFNSBXPICKM-UHFFFAOYSA-N
XLogP0.59
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-acetamido-3-oxopropyl) acetate
CID 20757985
acetyl 4-acetyloxy-2-methylidenebutanoate
CID 122553711
(3-amino-3-oxopropyl) acetate
CID 19981550
(3-chloro-4-methylpent-3-enyl) acetate
CID 142889748
3-(trimethylsilylmethyl)but-3-enyl acetate
CID 12841797
2-methoxyethyl acetate;2-methylprop-2-enoic acid
CID 162012493
2-acetyloxyethyl acetate;buta-1,3-diene
CID 87510767
(3-acetamido-3-oxopropyl) acetate
CID 20760674
(3-acetyl-4-methylpent-3-enyl) acetate
CID 140995275
2-(2-prop-1-en-2-yloxyethoxy)ethyl acetate
CID 161380709
bis(2-acetyloxyethyl acetate);amino acetate
CID 87902922
acetic acid;2-acetyloxyethyl acetate;azane
CID 18969564

Frequently Asked Questions

What is the IUPAC name of 3-acetamidobut-3-enyl acetate?
The IUPAC name of 3-acetamidobut-3-enyl acetate (CID 130179468) is 3-acetamidobut-3-enyl acetate.
What is the SMILES notation for 3-acetamidobut-3-enyl acetate?
The canonical SMILES for 3-acetamidobut-3-enyl acetate is C=C(CCOC(C)=O)NC(C)=O.
What is the InChIKey of 3-acetamidobut-3-enyl acetate?
The InChIKey is JBOBFNSBXPICKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(9-7(2)10)4-5-12-8(3)11/h1,4-5H2,2-3H3,(H,9,10).
What are the key properties of 3-acetamidobut-3-enyl acetate?
3-acetamidobut-3-enyl acetate has a molecular weight of 171.20 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamidobut-3-enyl acetate is sourced from PubChem (CID 130179468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).