ethyl (Z)-3-(methylideneamino)pent-3-enoate

C8H13NO2 — CID 143366239

IUPACethyl (Z)-3-(methylideneamino)pent-3-enoate
SMILESC=N/C(=C\C)CC(=O)OCC
InChIInChI=1S/C8H13NO2/c1-4-7(9-3)6-8(10)11-5-2/h4H,3,5-6H2,1-2H3/b7-4-
InChIKeyGBRNLLLOBZMLMT-DAXSKMNVSA-N
MW155.20 g/mol
LogP1.54
Rot. Bonds4

About ethyl (Z)-3-(methylideneamino)pent-3-enoate

ethyl (Z)-3-(methylideneamino)pent-3-enoate (PubChem CID 143366239) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is ethyl (Z)-3-(methylideneamino)pent-3-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(methylideneamino)pent-3-enoate
PubChem CID143366239
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nameethyl (Z)-3-(methylideneamino)pent-3-enoate
SMILESC=N/C(=C\C)CC(=O)OCC
InChIInChI=1S/C8H13NO2/c1-4-7(9-3)6-8(10)11-5-2/h4H,3,5-6H2,1-2H3/b7-4-
InChIKeyGBRNLLLOBZMLMT-DAXSKMNVSA-N
XLogP1.54
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(methylideneamino)pent-3-enoate?
The IUPAC name of ethyl (Z)-3-(methylideneamino)pent-3-enoate (CID 143366239) is ethyl (Z)-3-(methylideneamino)pent-3-enoate.
What is the SMILES notation for ethyl (Z)-3-(methylideneamino)pent-3-enoate?
The canonical SMILES for ethyl (Z)-3-(methylideneamino)pent-3-enoate is C=N/C(=C\C)CC(=O)OCC.
What is the InChIKey of ethyl (Z)-3-(methylideneamino)pent-3-enoate?
The InChIKey is GBRNLLLOBZMLMT-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-7(9-3)6-8(10)11-5-2/h4H,3,5-6H2,1-2H3/b7-4-.
What are the key properties of ethyl (Z)-3-(methylideneamino)pent-3-enoate?
ethyl (Z)-3-(methylideneamino)pent-3-enoate has a molecular weight of 155.20 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(methylideneamino)pent-3-enoate is sourced from PubChem (CID 143366239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).