ethyl (Z)-3-cyclopropyl-2-methanimidoylbut-2-enoate

C10H15NO2 — CID 145289787

IUPACethyl (Z)-3-cyclopropyl-2-methanimidoylbut-2-enoate
SMILES[H]/N=C/C(C(=O)OCC)=C(\C)C1CC1
InChIInChI=1S/C10H15NO2/c1-3-13-10(12)9(6-11)7(2)8-4-5-8/h6,8,11H,3-5H2,1-2H3/b9-7-,11-6+
InChIKeyRXVQIOCTTWPTCQ-IBDCXDMFSA-N
MW181.24 g/mol
LogP1.93
Rot. Bonds4

About ethyl (Z)-3-cyclopropyl-2-methanimidoylbut-2-enoate

ethyl (Z)-3-cyclopropyl-2-methanimidoylbut-2-enoate (PubChem CID 145289787) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is ethyl (Z)-3-cyclopropyl-2-methanimidoylbut-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-cyclopropyl-2-methanimidoylbut-2-enoate
PubChem CID145289787
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Nameethyl (Z)-3-cyclopropyl-2-methanimidoylbut-2-enoate
SMILES[H]/N=C/C(C(=O)OCC)=C(\C)C1CC1
InChIInChI=1S/C10H15NO2/c1-3-13-10(12)9(6-11)7(2)8-4-5-8/h6,8,11H,3-5H2,1-2H3/b9-7-,11-6+
InChIKeyRXVQIOCTTWPTCQ-IBDCXDMFSA-N
XLogP1.93
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.93
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

ethyl (E)-3-amino-4,4,4-trifluoro-2-methanimidoylbut-2-enoate
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ethyl 4-(4-ethoxycarbonylcyclohexyl)cyclohexane-1-carboxylate
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ethyl 4-methyl-2-propan-2-ylidenepent-3-enoate
CID 15438220
ethyl 4-imino-3-oxobutanoate
CID 91505562
CID 159689459
CID 159689459
ethyl (Z)-2-(cyclopropanecarbonyl)-3-methoxybut-2-enoate
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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-cyclopropyl-2-methanimidoylbut-2-enoate?
The IUPAC name of ethyl (Z)-3-cyclopropyl-2-methanimidoylbut-2-enoate (CID 145289787) is ethyl (Z)-3-cyclopropyl-2-methanimidoylbut-2-enoate.
What is the SMILES notation for ethyl (Z)-3-cyclopropyl-2-methanimidoylbut-2-enoate?
The canonical SMILES for ethyl (Z)-3-cyclopropyl-2-methanimidoylbut-2-enoate is [H]/N=C/C(C(=O)OCC)=C(\C)C1CC1.
What is the InChIKey of ethyl (Z)-3-cyclopropyl-2-methanimidoylbut-2-enoate?
The InChIKey is RXVQIOCTTWPTCQ-IBDCXDMFSA-N. The full InChI is InChI=1S/C10H15NO2/c1-3-13-10(12)9(6-11)7(2)8-4-5-8/h6,8,11H,3-5H2,1-2H3/b9-7-,11-6+.
What are the key properties of ethyl (Z)-3-cyclopropyl-2-methanimidoylbut-2-enoate?
ethyl (Z)-3-cyclopropyl-2-methanimidoylbut-2-enoate has a molecular weight of 181.24 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-cyclopropyl-2-methanimidoylbut-2-enoate is sourced from PubChem (CID 145289787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).