(E)-pent-2-enal

C5H8O — CID 5364752

IUPAC(E)-pent-2-enal
SMILESCC/C=C/C=O
InChIInChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+
InChIKeyDTCCTIQRPGSLPT-ONEGZZNKSA-N
MW84.12 g/mol
LogP1.15
Rot. Bonds2

About (E)-pent-2-enal

(E)-pent-2-enal (PubChem CID 5364752) has the molecular formula C5H8O and a molecular weight of 84.12 g/mol. Its IUPAC name is (E)-pent-2-enal.

Molecular Properties

Compound Name(E)-pent-2-enal
PubChem CID5364752
Molecular FormulaC5H8O
Molecular Weight84.12 g/mol
Exact Mass84.06
IUPAC Name(E)-pent-2-enal
SMILESCC/C=C/C=O
InChIInChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+
InChIKeyDTCCTIQRPGSLPT-ONEGZZNKSA-N
XLogP1.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50084.12
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,5Z,8Z,11Z)-tetradeca-2,5,8,11-tetraenal
CID 10987375
(2E)-nona-2,6-dienal
CID 6992048
(2E)-octa-2,5-dienal
CID 152586701
pentanal;pent-2-enal
CID 159280720
(5E)-octa-3,5-diene
CID 173104147
(2E,10Z)-trideca-2,10-dienal
CID 129221038
(E)-hex-2-enal
CID 158800846
ethane;(3Z,5Z)-octa-3,5-diene
CID 142104932
(2E,4E,7Z,10Z,13Z,16Z,19Z)-docosa-2,4,7,10,13,16,19-heptaenal
CID 87856507
(2Z,4Z,7Z)-deca-2,4,7-trienal
CID 146449298
(2E,4E,7E)-deca-2,4,7-trienal
CID 5283352
(2E,7Z)-deca-2,4,7-trienal
CID 86595204

Frequently Asked Questions

What is the IUPAC name of (E)-pent-2-enal?
The IUPAC name of (E)-pent-2-enal (CID 5364752) is (E)-pent-2-enal.
What is the SMILES notation for (E)-pent-2-enal?
The canonical SMILES for (E)-pent-2-enal is CC/C=C/C=O.
What is the InChIKey of (E)-pent-2-enal?
The InChIKey is DTCCTIQRPGSLPT-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+.
What are the key properties of (E)-pent-2-enal?
(E)-pent-2-enal has a molecular weight of 84.12 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-pent-2-enal is sourced from PubChem (CID 5364752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).