ethyl (Z)-2-ethanimidoylhex-2-enoate

C10H17NO2 — CID 123762918

IUPACethyl (Z)-2-ethanimidoylhex-2-enoate
SMILES[H]/N=C(C)/C(=C/CCC)C(=O)OCC
InChIInChI=1S/C10H17NO2/c1-4-6-7-9(8(3)11)10(12)13-5-2/h7,11H,4-6H2,1-3H3/b9-7-,11-8+
InChIKeyZJFPSWLCFOGAFE-BYSFRFKNSA-N
MW183.25 g/mol
LogP2.32
Rot. Bonds5

About ethyl (Z)-2-ethanimidoylhex-2-enoate

ethyl (Z)-2-ethanimidoylhex-2-enoate (PubChem CID 123762918) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl (Z)-2-ethanimidoylhex-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-ethanimidoylhex-2-enoate
PubChem CID123762918
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl (Z)-2-ethanimidoylhex-2-enoate
SMILES[H]/N=C(C)/C(=C/CCC)C(=O)OCC
InChIInChI=1S/C10H17NO2/c1-4-6-7-9(8(3)11)10(12)13-5-2/h7,11H,4-6H2,1-3H3/b9-7-,11-8+
InChIKeyZJFPSWLCFOGAFE-BYSFRFKNSA-N
XLogP2.32
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2-(2-fluoroethanimidoyl)but-2-enoate
CID 123197368
ethyl (E)-2-(2,2,2-trifluoroethanimidoyl)but-2-enoate
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diethyl 2,7-dimethyl-4H-azepine-3,6-dicarboxylate
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ethyl (Z)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]-4-methylpent-2-enoate
CID 135010737
ethyl (Z)-2-ethanimidoyl-3-hydroxybut-2-enoate
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ethyl (Z)-2-ethanimidoyl-4,4,4-trifluoro-3-methylbut-2-enoate
CID 153192263
ethyl (E)-2-acetyl-3-aminobut-2-enoate
CID 135459427
4-(2-Ethoxyethylidene)-3-methyl-1,2-oxazol-5-one
CID 67870181
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Ethyl 6-iminocyclohexa-1,3-diene-1-carboxylate
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Diethyl 4-ethanimidoylpent-2-enedioate
CID 90807613
5-O-ethyl 1-O-methyl 4-ethanimidoylpent-2-enedioate
CID 90903833

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-ethanimidoylhex-2-enoate?
The IUPAC name of ethyl (Z)-2-ethanimidoylhex-2-enoate (CID 123762918) is ethyl (Z)-2-ethanimidoylhex-2-enoate.
What is the SMILES notation for ethyl (Z)-2-ethanimidoylhex-2-enoate?
The canonical SMILES for ethyl (Z)-2-ethanimidoylhex-2-enoate is [H]/N=C(C)/C(=C/CCC)C(=O)OCC.
What is the InChIKey of ethyl (Z)-2-ethanimidoylhex-2-enoate?
The InChIKey is ZJFPSWLCFOGAFE-BYSFRFKNSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-6-7-9(8(3)11)10(12)13-5-2/h7,11H,4-6H2,1-3H3/b9-7-,11-8+.
What are the key properties of ethyl (Z)-2-ethanimidoylhex-2-enoate?
ethyl (Z)-2-ethanimidoylhex-2-enoate has a molecular weight of 183.25 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-ethanimidoylhex-2-enoate is sourced from PubChem (CID 123762918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).