2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde

C9H10O2 — CID 130025271

IUPAC2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde
SMILESO=CCC1(CC=O)C=CC=C1
InChIInChI=1S/C9H10O2/c10-7-5-9(6-8-11)3-1-2-4-9/h1-4,7-8H,5-6H2
InChIKeyPHTSNFHLIGNSDZ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.28
Rot. Bonds4

About 2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde

2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde (PubChem CID 130025271) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde
PubChem CID130025271
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde
SMILESO=CCC1(CC=O)C=CC=C1
InChIInChI=1S/C9H10O2/c10-7-5-9(6-8-11)3-1-2-4-9/h1-4,7-8H,5-6H2
InChIKeyPHTSNFHLIGNSDZ-UHFFFAOYSA-N
XLogP1.28
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde?
The IUPAC name of 2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde (CID 130025271) is 2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde.
What is the SMILES notation for 2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde?
The canonical SMILES for 2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde is O=CCC1(CC=O)C=CC=C1.
What is the InChIKey of 2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde?
The InChIKey is PHTSNFHLIGNSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c10-7-5-9(6-8-11)3-1-2-4-9/h1-4,7-8H,5-6H2.
What are the key properties of 2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde?
2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde has a molecular weight of 150.18 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-oxoethyl)cyclopenta-2,4-dien-1-yl]acetaldehyde is sourced from PubChem (CID 130025271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).