2-(cyclopenten-1-yl)-2-methylpropanal

C9H14O — CID 130025858

IUPAC2-(cyclopenten-1-yl)-2-methylpropanal
SMILESCC(C)(C=O)C1=CCCC1
InChIInChI=1S/C9H14O/c1-9(2,7-10)8-5-3-4-6-8/h5,7H,3-4,6H2,1-2H3
InChIKeyUQIVFMWQDAMKOO-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.32
Rot. Bonds2

About 2-(cyclopenten-1-yl)-2-methylpropanal

2-(cyclopenten-1-yl)-2-methylpropanal (PubChem CID 130025858) has the molecular formula C9H14O and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-2-methylpropanal.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-2-methylpropanal
PubChem CID130025858
Molecular FormulaC9H14O
Molecular Weight138.21 g/mol
Exact Mass138.10
IUPAC Name2-(cyclopenten-1-yl)-2-methylpropanal
SMILESCC(C)(C=O)C1=CCCC1
InChIInChI=1S/C9H14O/c1-9(2,7-10)8-5-3-4-6-8/h5,7H,3-4,6H2,1-2H3
InChIKeyUQIVFMWQDAMKOO-UHFFFAOYSA-N
XLogP2.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butylcyclopentene
CID 13414410
1-tert-butylcyclopentene;methane
CID 160666410
1-(cyclohexen-1-yl)ethane-1,1-diamine
CID 22286699
2-[(1E)-cyclododecen-1-yl]propan-2-ol
CID 88736896
2-(cyclohexen-1-yl)but-3-en-2-ol
CID 11332570
2-(cyclohexen-1-yl)-2-fluoropropanoic acid
CID 105435083
2-[1,1-di(cyclopenten-1-yl)ethyl]-2-(hydroxymethyl)propane-1,3-diol;prop-2-enoic acid
CID 70479524
1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)cyclopentene
CID 172811458
1-(cyclohepten-1-yl)-1-fluoroethanamine
CID 105430737
2-(cyclohexen-1-yl)-1,2-di(cyclopenten-1-yl)-2-hydroxyethanone
CID 67914178
[1,2-di(cyclopenten-1-yl)-1-oxopropan-2-yl] prop-2-enoate
CID 67938353
4-[2-(cycloocten-1-yl)propan-2-yl]phenol
CID 174631352

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-2-methylpropanal?
The IUPAC name of 2-(cyclopenten-1-yl)-2-methylpropanal (CID 130025858) is 2-(cyclopenten-1-yl)-2-methylpropanal.
What is the SMILES notation for 2-(cyclopenten-1-yl)-2-methylpropanal?
The canonical SMILES for 2-(cyclopenten-1-yl)-2-methylpropanal is CC(C)(C=O)C1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-2-methylpropanal?
The InChIKey is UQIVFMWQDAMKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O/c1-9(2,7-10)8-5-3-4-6-8/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 2-(cyclopenten-1-yl)-2-methylpropanal?
2-(cyclopenten-1-yl)-2-methylpropanal has a molecular weight of 138.21 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-2-methylpropanal is sourced from PubChem (CID 130025858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).