3-cyclopenta-1,4-dien-1-ylpropanal

C8H10O — CID 12934697

IUPAC3-cyclopenta-1,4-dien-1-ylpropanal
SMILESO=CCCC1=CCC=C1
InChIInChI=1S/C8H10O/c9-7-3-6-8-4-1-2-5-8/h1,4-5,7H,2-3,6H2
InChIKeyRXPAWRNZABCVIL-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.85
Rot. Bonds3

About 3-cyclopenta-1,4-dien-1-ylpropanal

3-cyclopenta-1,4-dien-1-ylpropanal (PubChem CID 12934697) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is 3-cyclopenta-1,4-dien-1-ylpropanal.

Molecular Properties

Compound Name3-cyclopenta-1,4-dien-1-ylpropanal
PubChem CID12934697
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name3-cyclopenta-1,4-dien-1-ylpropanal
SMILESO=CCCC1=CCC=C1
InChIInChI=1S/C8H10O/c9-7-3-6-8-4-1-2-5-8/h1,4-5,7H,2-3,6H2
InChIKeyRXPAWRNZABCVIL-UHFFFAOYSA-N
XLogP1.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromoethyl)cyclopenta-1,3-diene
CID 91385772
2-[2-(2-cyclopenta-1,4-dien-1-ylethoxy)ethyl]cyclopenta-1,3-diene
CID 15841181
ethane;2-propylcyclopenta-1,3-diene
CID 142052577
2-heptadecylcyclopenta-1,3-diene
CID 91156945
2-(2-propan-2-ylsulfanylethyl)cyclopenta-1,3-diene
CID 87976124
ethane;2-prop-2-enylcyclopenta-1,3-diene
CID 142584278
2-(3-cyclopenta-1,4-dien-1-yl-2,2-dimethylpropyl)cyclopenta-1,3-diene
CID 87447368
2-(methylsulfanylmethyl)cyclopenta-1,3-diene
CID 22555406
N-(cyclopenta-1,4-dien-1-ylmethyl)methanimine
CID 163815905
8-cyclopenta-1,4-dien-1-yloctyl(trimethoxy)silane
CID 173001338
2-(2,2-dimethylpropyl)cyclopenta-1,3-diene;zirconium
CID 175034285
8-cyclopenta-1,4-dien-1-yloctyl-methoxy-dimethylsilane
CID 87079683

Frequently Asked Questions

What is the IUPAC name of 3-cyclopenta-1,4-dien-1-ylpropanal?
The IUPAC name of 3-cyclopenta-1,4-dien-1-ylpropanal (CID 12934697) is 3-cyclopenta-1,4-dien-1-ylpropanal.
What is the SMILES notation for 3-cyclopenta-1,4-dien-1-ylpropanal?
The canonical SMILES for 3-cyclopenta-1,4-dien-1-ylpropanal is O=CCCC1=CCC=C1.
What is the InChIKey of 3-cyclopenta-1,4-dien-1-ylpropanal?
The InChIKey is RXPAWRNZABCVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/c9-7-3-6-8-4-1-2-5-8/h1,4-5,7H,2-3,6H2.
What are the key properties of 3-cyclopenta-1,4-dien-1-ylpropanal?
3-cyclopenta-1,4-dien-1-ylpropanal has a molecular weight of 122.17 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopenta-1,4-dien-1-ylpropanal is sourced from PubChem (CID 12934697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).