2-prop-2-enylidenepentanedial

C8H10O2 — CID 88740289

IUPAC2-prop-2-enylidenepentanedial
SMILESC=CC=C(C=O)CCC=O
InChIInChI=1S/C8H10O2/c1-2-4-8(7-10)5-3-6-9/h2,4,6-7H,1,3,5H2
InChIKeyLWXFVIMENMJQNJ-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.28
Rot. Bonds5

About 2-prop-2-enylidenepentanedial

2-prop-2-enylidenepentanedial (PubChem CID 88740289) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-prop-2-enylidenepentanedial.

Molecular Properties

Compound Name2-prop-2-enylidenepentanedial
PubChem CID88740289
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name2-prop-2-enylidenepentanedial
SMILESC=CC=C(C=O)CCC=O
InChIInChI=1S/C8H10O2/c1-2-4-8(7-10)5-3-6-9/h2,4,6-7H,1,3,5H2
InChIKeyLWXFVIMENMJQNJ-UHFFFAOYSA-N
XLogP1.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-prop-2-enylidenepentanedial with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2E)-2-ethylpenta-2,4-dienal
CID 88543271
2-propylidenepentanedial
CID 91586241
(4Z)-4-[(E)-cyclohexa-2,4-dien-1-ylidenemethyl]hepta-4,6-dienal
CID 142442632
N-[(3Z)-3-ethenylhexa-3,5-dienyl]formamide
CID 156731692
(3Z,7E)-4-ethenylnona-1,3,7-triene
CID 144915072
(3Z)-3-ethenylhexa-3,5-dienal;N-methylmethanamine
CID 143006742
2,5-dioxopentanoic acid
CID 87139095
(4Z)-4-ethenylhepta-4,6-dienoyl chloride
CID 143083142
(6Z)-6-ethenylnona-6,8-dienoic acid;formic acid
CID 176918699
4-oxo-N,N-bis(prop-2-enyl)butanamide
CID 173364816
aminomethanone;(4Z)-4-ethenylhepta-4,6-dienoic acid;fermium
CID 165115773
pent-4-enal
CID 16418

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylidenepentanedial?
The IUPAC name of 2-prop-2-enylidenepentanedial (CID 88740289) is 2-prop-2-enylidenepentanedial.
What is the SMILES notation for 2-prop-2-enylidenepentanedial?
The canonical SMILES for 2-prop-2-enylidenepentanedial is C=CC=C(C=O)CCC=O.
What is the InChIKey of 2-prop-2-enylidenepentanedial?
The InChIKey is LWXFVIMENMJQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-2-4-8(7-10)5-3-6-9/h2,4,6-7H,1,3,5H2.
What are the key properties of 2-prop-2-enylidenepentanedial?
2-prop-2-enylidenepentanedial has a molecular weight of 138.17 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylidenepentanedial is sourced from PubChem (CID 88740289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).