3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal

C11H14O2 — CID 132563823

IUPAC3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal
SMILESO=CCCC1=CC=CC1CCC=O
InChIInChI=1S/C11H14O2/c12-8-2-6-10-4-1-5-11(10)7-3-9-13/h1,4-5,8-10H,2-3,6-7H2
InChIKeyHSGJBCBAUCGSEM-UHFFFAOYSA-N
MW178.23 g/mol
LogP2.06
Rot. Bonds6

About 3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal

3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal (PubChem CID 132563823) has the molecular formula C11H14O2 and a molecular weight of 178.23 g/mol. Its IUPAC name is 3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal.

Molecular Properties

Compound Name3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal
PubChem CID132563823
Molecular FormulaC11H14O2
Molecular Weight178.23 g/mol
Exact Mass178.10
IUPAC Name3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal
SMILESO=CCCC1=CC=CC1CCC=O
InChIInChI=1S/C11H14O2/c12-8-2-6-10-4-1-5-11(10)7-3-9-13/h1,4-5,8-10H,2-3,6-7H2
InChIKeyHSGJBCBAUCGSEM-UHFFFAOYSA-N
XLogP2.06
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 173106521
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1-ethyl-5-methylcyclopenta-1,3-diene;titanium
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5-butylcyclopenta-1,3-diene-1-sulfonic acid
CID 176533611
calcium;hydride;4-propylcyclohepta-2,4,6-triene-1-carbaldehyde
CID 174715871
(E)-oct-4-enedial
CID 5283333
magnesium;2-cyclopenta-2,4-dien-1-ylacetaldehyde;hydride
CID 174635208
3-(3-methyl-2-bicyclo[2.2.1]hept-5-enyl)propanal
CID 59748167
3-[(4R,6R)-6-methyl-4-propan-2-ylcyclohexen-1-yl]propanal
CID 146421371
CID 172843840
CID 172843840
sodium;hydride;4-sulfanylidenebutanal
CID 173270805
3-(2,2-dimethyl-5-oxocyclopent-3-en-1-yl)propanal
CID 14950194

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal?
The IUPAC name of 3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal (CID 132563823) is 3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal.
What is the SMILES notation for 3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal?
The canonical SMILES for 3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal is O=CCCC1=CC=CC1CCC=O.
What is the InChIKey of 3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal?
The InChIKey is HSGJBCBAUCGSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2/c12-8-2-6-10-4-1-5-11(10)7-3-9-13/h1,4-5,8-10H,2-3,6-7H2.
What are the key properties of 3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal?
3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal has a molecular weight of 178.23 g/mol, XLogP of 2.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-oxopropyl)cyclopenta-2,4-dien-1-yl]propanal is sourced from PubChem (CID 132563823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).