2-cyclohepta-2,4,6-trien-1-ylpropanal

C10H12O — CID 14182945

IUPAC2-cyclohepta-2,4,6-trien-1-ylpropanal
SMILESCC(C=O)C1C=CC=CC=C1
InChIInChI=1S/C10H12O/c1-9(8-11)10-6-4-2-3-5-7-10/h2-10H,1H3
InChIKeyQZEPUMCDSYOAMR-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.12
Rot. Bonds2

About 2-cyclohepta-2,4,6-trien-1-ylpropanal

2-cyclohepta-2,4,6-trien-1-ylpropanal (PubChem CID 14182945) has the molecular formula C10H12O and a molecular weight of 148.20 g/mol. Its IUPAC name is 2-cyclohepta-2,4,6-trien-1-ylpropanal.

Molecular Properties

Compound Name2-cyclohepta-2,4,6-trien-1-ylpropanal
PubChem CID14182945
Molecular FormulaC10H12O
Molecular Weight148.20 g/mol
Exact Mass148.09
IUPAC Name2-cyclohepta-2,4,6-trien-1-ylpropanal
SMILESCC(C=O)C1C=CC=CC=C1
InChIInChI=1S/C10H12O/c1-9(8-11)10-6-4-2-3-5-7-10/h2-10H,1H3
InChIKeyQZEPUMCDSYOAMR-UHFFFAOYSA-N
XLogP2.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.12
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

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1-cyclopenta-2,4-dien-1-ylethyl acetate
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(2S)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propanal
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1-[(1S,2Z,4Z,6Z,8R)-9-azabicyclo[6.1.0]nona-2,4,6-trien-9-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-cyclohepta-2,4,6-trien-1-ylpropanal?
The IUPAC name of 2-cyclohepta-2,4,6-trien-1-ylpropanal (CID 14182945) is 2-cyclohepta-2,4,6-trien-1-ylpropanal.
What is the SMILES notation for 2-cyclohepta-2,4,6-trien-1-ylpropanal?
The canonical SMILES for 2-cyclohepta-2,4,6-trien-1-ylpropanal is CC(C=O)C1C=CC=CC=C1.
What is the InChIKey of 2-cyclohepta-2,4,6-trien-1-ylpropanal?
The InChIKey is QZEPUMCDSYOAMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O/c1-9(8-11)10-6-4-2-3-5-7-10/h2-10H,1H3.
What are the key properties of 2-cyclohepta-2,4,6-trien-1-ylpropanal?
2-cyclohepta-2,4,6-trien-1-ylpropanal has a molecular weight of 148.20 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohepta-2,4,6-trien-1-ylpropanal is sourced from PubChem (CID 14182945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).