ethyl (Z)-2-methylidene-5-propyliminopent-3-enoate

C11H17NO2 — CID 155472202

IUPACethyl (Z)-2-methylidene-5-propyliminopent-3-enoate
SMILESC=C(/C=C\C=N\CCC)C(=O)OCC
InChIInChI=1S/C11H17NO2/c1-4-8-12-9-6-7-10(3)11(13)14-5-2/h6-7,9H,3-5,8H2,1-2H3/b7-6-,12-9+
InChIKeyIEPSAYCVMFGRCQ-IYNHQRNQSA-N
MW195.26 g/mol
LogP2.14
Rot. Bonds6

About ethyl (Z)-2-methylidene-5-propyliminopent-3-enoate

ethyl (Z)-2-methylidene-5-propyliminopent-3-enoate (PubChem CID 155472202) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is ethyl (Z)-2-methylidene-5-propyliminopent-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-methylidene-5-propyliminopent-3-enoate
PubChem CID155472202
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Nameethyl (Z)-2-methylidene-5-propyliminopent-3-enoate
SMILESC=C(/C=C\C=N\CCC)C(=O)OCC
InChIInChI=1S/C11H17NO2/c1-4-8-12-9-6-7-10(3)11(13)14-5-2/h6-7,9H,3-5,8H2,1-2H3/b7-6-,12-9+
InChIKeyIEPSAYCVMFGRCQ-IYNHQRNQSA-N
XLogP2.14
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-methylidene-5-propyliminopent-3-enoate?
The IUPAC name of ethyl (Z)-2-methylidene-5-propyliminopent-3-enoate (CID 155472202) is ethyl (Z)-2-methylidene-5-propyliminopent-3-enoate.
What is the SMILES notation for ethyl (Z)-2-methylidene-5-propyliminopent-3-enoate?
The canonical SMILES for ethyl (Z)-2-methylidene-5-propyliminopent-3-enoate is C=C(/C=C\C=N\CCC)C(=O)OCC.
What is the InChIKey of ethyl (Z)-2-methylidene-5-propyliminopent-3-enoate?
The InChIKey is IEPSAYCVMFGRCQ-IYNHQRNQSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-8-12-9-6-7-10(3)11(13)14-5-2/h6-7,9H,3-5,8H2,1-2H3/b7-6-,12-9+.
What are the key properties of ethyl (Z)-2-methylidene-5-propyliminopent-3-enoate?
ethyl (Z)-2-methylidene-5-propyliminopent-3-enoate has a molecular weight of 195.26 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-methylidene-5-propyliminopent-3-enoate is sourced from PubChem (CID 155472202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).