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

C9H15NO3 — CID 12859667

IUPACmethyl (Z)-3-acetamidohex-2-enoate
SMILESCCC/C(=C/C(=O)OC)NC(C)=O
InChIInChI=1S/C9H15NO3/c1-4-5-8(10-7(2)11)6-9(12)13-3/h6H,4-5H2,1-3H3,(H,10,11)/b8-6-
InChIKeyFGIFEEFFQZPOQB-VURMDHGXSA-N
MW185.22 g/mol
LogP0.98
Rot. Bonds4

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

methyl (Z)-3-acetamidohex-2-enoate (PubChem CID 12859667) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (Z)-3-acetamidohex-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-3-acetamidohex-2-enoate
PubChem CID12859667
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (Z)-3-acetamidohex-2-enoate
SMILESCCC/C(=C/C(=O)OC)NC(C)=O
InChIInChI=1S/C9H15NO3/c1-4-5-8(10-7(2)11)6-9(12)13-3/h6H,4-5H2,1-3H3,(H,10,11)/b8-6-
InChIKeyFGIFEEFFQZPOQB-VURMDHGXSA-N
XLogP0.98
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.98
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

ethyl (Z)-3-acetamidohex-2-enoate
CID 10726666
dimethyl 3,4-dipropylhexa-2,4-dienedioate
CID 606910
methyl (Z)-3-methyloct-2-enoate
CID 14332772
methyl (E)-3-methyloct-2-en-4-ynoate
CID 135083767
methyl (Z)-3-methylpent-2-enoate
CID 12524083
tris(methyl 3-hydroxybut-2-enoate);propan-1-ol;titanium
CID 176729444
methyl 3-hydroxybut-2-enoate;tris(propan-1-ol);titanium
CID 176729452
methyl (E)-6-hydroxy-3-propylhept-2-en-4-ynoate
CID 135083739
methyl 3-(propanoylamino)but-2-enoate
CID 130719515
methyl 3-iodohept-2-enoate
CID 71346581
methyl (Z)-3-(propanoylamino)but-2-enoate
CID 121227364
methyl (Z)-3-methoxyoct-2-enoate
CID 129407763

Frequently Asked Questions

What is the IUPAC name of methyl (Z)-3-acetamidohex-2-enoate?
The IUPAC name of methyl (Z)-3-acetamidohex-2-enoate (CID 12859667) is methyl (Z)-3-acetamidohex-2-enoate.
What is the SMILES notation for methyl (Z)-3-acetamidohex-2-enoate?
The canonical SMILES for methyl (Z)-3-acetamidohex-2-enoate is CCC/C(=C/C(=O)OC)NC(C)=O.
What is the InChIKey of methyl (Z)-3-acetamidohex-2-enoate?
The InChIKey is FGIFEEFFQZPOQB-VURMDHGXSA-N. The full InChI is InChI=1S/C9H15NO3/c1-4-5-8(10-7(2)11)6-9(12)13-3/h6H,4-5H2,1-3H3,(H,10,11)/b8-6-.
What are the key properties of methyl (Z)-3-acetamidohex-2-enoate?
methyl (Z)-3-acetamidohex-2-enoate has a molecular weight of 185.22 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-3-acetamidohex-2-enoate is sourced from PubChem (CID 12859667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).