(E)-pent-2-enoic acid

C5H8O2 — CID 638122

IUPAC(E)-pent-2-enoic acid
SMILESCC/C=C/C(=O)O
InChIInChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
InChIKeyYIYBQIKDCADOSF-ONEGZZNKSA-N
MW100.12 g/mol
LogP1.04
Rot. Bonds2

About (E)-pent-2-enoic acid

(E)-pent-2-enoic acid (PubChem CID 638122) has the molecular formula C5H8O2 and a molecular weight of 100.12 g/mol. Its IUPAC name is (E)-pent-2-enoic acid.

Molecular Properties

Compound Name(E)-pent-2-enoic acid
PubChem CID638122
Molecular FormulaC5H8O2
Molecular Weight100.12 g/mol
Exact Mass100.05
IUPAC Name(E)-pent-2-enoic acid
SMILESCC/C=C/C(=O)O
InChIInChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+
InChIKeyYIYBQIKDCADOSF-ONEGZZNKSA-N
XLogP1.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pent-2-enoic acid;hydrochloride
CID 156883966
acetic acid;(Z)-hex-3-ene
CID 87142970
undeca-2,8-dienoic acid
CID 86068100
(E)-hex-2-enoic acid
CID 5282707
(E)-pent-2-enoic acid;pent-4-enoic acid
CID 118691539
icosa-2,17-dienoic acid
CID 173056389
docosakis(hex-2-enoic acid);phosphane
CID 174896095
hepta-2,5-dienedioic acid
CID 74058962
2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984
(10Z,13E,16Z,19Z)-docosa-2,10,13,16,19-pentaenoic acid
CID 122652097
deca-2,4,7-trienoic acid
CID 54400863
but-1-ene;(Z)-but-2-enedioic acid
CID 88615133

Frequently Asked Questions

What is the IUPAC name of (E)-pent-2-enoic acid?
The IUPAC name of (E)-pent-2-enoic acid (CID 638122) is (E)-pent-2-enoic acid.
What is the SMILES notation for (E)-pent-2-enoic acid?
The canonical SMILES for (E)-pent-2-enoic acid is CC/C=C/C(=O)O.
What is the InChIKey of (E)-pent-2-enoic acid?
The InChIKey is YIYBQIKDCADOSF-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+.
What are the key properties of (E)-pent-2-enoic acid?
(E)-pent-2-enoic acid has a molecular weight of 100.12 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-pent-2-enoic acid is sourced from PubChem (CID 638122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).