[(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate

C10H15NO3 — CID 58761257

IUPAC[(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate
SMILESC=C(/C=C\C)C(=O)O/N=C(/C)OCC
InChIInChI=1S/C10H15NO3/c1-5-7-8(3)10(12)14-11-9(4)13-6-2/h5,7H,3,6H2,1-2,4H3/b7-5-,11-9-
InChIKeyFGIQLWPRFXCYFE-CXHWBCNXSA-N
MW197.23 g/mol
LogP2.03
Rot. Bonds4

About [(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate

[(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate (PubChem CID 58761257) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is [(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate.

Molecular Properties

Compound Name[(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate
PubChem CID58761257
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name[(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate
SMILESC=C(/C=C\C)C(=O)O/N=C(/C)OCC
InChIInChI=1S/C10H15NO3/c1-5-7-8(3)10(12)14-11-9(4)13-6-2/h5,7H,3,6H2,1-2,4H3/b7-5-,11-9-
InChIKeyFGIQLWPRFXCYFE-CXHWBCNXSA-N
XLogP2.03
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate?
The IUPAC name of [(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate (CID 58761257) is [(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate.
What is the SMILES notation for [(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate?
The canonical SMILES for [(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate is C=C(/C=C\C)C(=O)O/N=C(/C)OCC.
What is the InChIKey of [(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate?
The InChIKey is FGIQLWPRFXCYFE-CXHWBCNXSA-N. The full InChI is InChI=1S/C10H15NO3/c1-5-7-8(3)10(12)14-11-9(4)13-6-2/h5,7H,3,6H2,1-2,4H3/b7-5-,11-9-.
What are the key properties of [(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate?
[(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate has a molecular weight of 197.23 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-ethoxyethylideneamino] (Z)-2-methylidenepent-3-enoate is sourced from PubChem (CID 58761257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).