ethyl (Z)-3-acetamidohex-2-enoate

C10H17NO3 — CID 10726666

IUPACethyl (Z)-3-acetamidohex-2-enoate
SMILESCCC/C(=C/C(=O)OCC)NC(C)=O
InChIInChI=1S/C10H17NO3/c1-4-6-9(11-8(3)12)7-10(13)14-5-2/h7H,4-6H2,1-3H3,(H,11,12)/b9-7-
InChIKeyUPWGEDNJXJLVBP-CLFYSBASSA-N
MW199.25 g/mol
LogP1.37
Rot. Bonds5

About ethyl (Z)-3-acetamidohex-2-enoate

ethyl (Z)-3-acetamidohex-2-enoate (PubChem CID 10726666) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is ethyl (Z)-3-acetamidohex-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-acetamidohex-2-enoate
PubChem CID10726666
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nameethyl (Z)-3-acetamidohex-2-enoate
SMILESCCC/C(=C/C(=O)OCC)NC(C)=O
InChIInChI=1S/C10H17NO3/c1-4-6-9(11-8(3)12)7-10(13)14-5-2/h7H,4-6H2,1-3H3,(H,11,12)/b9-7-
InChIKeyUPWGEDNJXJLVBP-CLFYSBASSA-N
XLogP1.37
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (Z)-3-acetamidohex-2-enoate
CID 12859667
ethyl (2Z)-3-acetamido-5-methylocta-2,6-dienoate
CID 87804637
ethyl (E)-3-aminohex-2-enoate
CID 10986503
ethyl (E)-3-hydroxyhex-2-enoate
CID 54707030
ethyl (Z)-3-acetamido-4,5-dimethyloct-2-enoate
CID 87936846
ethyl (Z)-3-carbamoylhex-2-enoate
CID 139808766
ethyl 4-acetyloxy-3-(methylamino)but-2-enoate
CID 173442900
ethyl 3-hydroxybut-2-enoate
CID 54692957
ethyl (Z)-5-ethoxy-3-[(3-methoxy-3-oxopropanoyl)amino]pent-2-enoate
CID 87126256
ethyl (Z)-3-acetamido-3-(4-chlorophenyl)prop-2-enoate
CID 11334658
diethyl (Z)-3-(methylamino)pent-2-enedioate
CID 5372676
ethyl 3-pentyloct-2-enoate
CID 13147032

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-acetamidohex-2-enoate?
The IUPAC name of ethyl (Z)-3-acetamidohex-2-enoate (CID 10726666) is ethyl (Z)-3-acetamidohex-2-enoate.
What is the SMILES notation for ethyl (Z)-3-acetamidohex-2-enoate?
The canonical SMILES for ethyl (Z)-3-acetamidohex-2-enoate is CCC/C(=C/C(=O)OCC)NC(C)=O.
What is the InChIKey of ethyl (Z)-3-acetamidohex-2-enoate?
The InChIKey is UPWGEDNJXJLVBP-CLFYSBASSA-N. The full InChI is InChI=1S/C10H17NO3/c1-4-6-9(11-8(3)12)7-10(13)14-5-2/h7H,4-6H2,1-3H3,(H,11,12)/b9-7-.
What are the key properties of ethyl (Z)-3-acetamidohex-2-enoate?
ethyl (Z)-3-acetamidohex-2-enoate has a molecular weight of 199.25 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-acetamidohex-2-enoate is sourced from PubChem (CID 10726666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).