ethyl (E)-5-cyanopent-4-enoate

C8H11NO2 — CID 14041139

IUPACethyl (E)-5-cyanopent-4-enoate
SMILESCCOC(=O)CC/C=C/C#N
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)6-4-3-5-7-9/h3,5H,2,4,6H2,1H3/b5-3+
InChIKeyWOVHRAIWBXAQRC-HWKANZROSA-N
MW153.18 g/mol
LogP1.41
Rot. Bonds4

About ethyl (E)-5-cyanopent-4-enoate

ethyl (E)-5-cyanopent-4-enoate (PubChem CID 14041139) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethyl (E)-5-cyanopent-4-enoate.

Molecular Properties

Compound Nameethyl (E)-5-cyanopent-4-enoate
PubChem CID14041139
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethyl (E)-5-cyanopent-4-enoate
SMILESCCOC(=O)CC/C=C/C#N
InChIInChI=1S/C8H11NO2/c1-2-11-8(10)6-4-3-5-7-9/h3,5H,2,4,6H2,1H3/b5-3+
InChIKeyWOVHRAIWBXAQRC-HWKANZROSA-N
XLogP1.41
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl tetradeca-4,8,12-trienoate
CID 141176666
(Z)-6-oxohept-2-enenitrile
CID 45085163
ethyl (4Z,7E,10E,13Z,16E,19E)-docosa-4,7,10,13,16,19-hexaenoate
CID 53249755
(2-ethoxy-2-oxoethyl) 3-cyanoprop-2-enoate
CID 118412624
ethyl (E)-tridec-4-enoate
CID 10944557
ethyl 6,7-dihydroxyhept-4-enoate
CID 53423872
ethyl 6-chlorohept-4-enoate
CID 71371400
ethyl (E)-10-hydroxydec-4-enoate
CID 11344916
acetonitrile;ethyl 3-hydroxypropanoate
CID 22990060
ethyl pent-4-enoate;dihydrochloride
CID 175912482
methyl (E)-11-cyanoundec-10-enoate
CID 12772008
methyl 10-cyanodec-9-enoate
CID 73094603

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-5-cyanopent-4-enoate?
The IUPAC name of ethyl (E)-5-cyanopent-4-enoate (CID 14041139) is ethyl (E)-5-cyanopent-4-enoate.
What is the SMILES notation for ethyl (E)-5-cyanopent-4-enoate?
The canonical SMILES for ethyl (E)-5-cyanopent-4-enoate is CCOC(=O)CC/C=C/C#N.
What is the InChIKey of ethyl (E)-5-cyanopent-4-enoate?
The InChIKey is WOVHRAIWBXAQRC-HWKANZROSA-N. The full InChI is InChI=1S/C8H11NO2/c1-2-11-8(10)6-4-3-5-7-9/h3,5H,2,4,6H2,1H3/b5-3+.
What are the key properties of ethyl (E)-5-cyanopent-4-enoate?
ethyl (E)-5-cyanopent-4-enoate has a molecular weight of 153.18 g/mol, XLogP of 1.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-5-cyanopent-4-enoate is sourced from PubChem (CID 14041139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).