2-(1-methylcyclopent-2-en-1-yl)benzaldehyde

C13H14O — CID 129216024

IUPAC2-(1-methylcyclopent-2-en-1-yl)benzaldehyde
SMILESCC1(c2ccccc2C=O)C=CCC1
InChIInChI=1S/C13H14O/c1-13(8-4-5-9-13)12-7-3-2-6-11(12)10-14/h2-4,6-8,10H,5,9H2,1H3
InChIKeyMNPUPPUKGSVWHQ-UHFFFAOYSA-N
MW186.25 g/mol
LogP3.11
Rot. Bonds2

About 2-(1-methylcyclopent-2-en-1-yl)benzaldehyde

2-(1-methylcyclopent-2-en-1-yl)benzaldehyde (PubChem CID 129216024) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-(1-methylcyclopent-2-en-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-(1-methylcyclopent-2-en-1-yl)benzaldehyde
PubChem CID129216024
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name2-(1-methylcyclopent-2-en-1-yl)benzaldehyde
SMILESCC1(c2ccccc2C=O)C=CCC1
InChIInChI=1S/C13H14O/c1-13(8-4-5-9-13)12-7-3-2-6-11(12)10-14/h2-4,6-8,10H,5,9H2,1H3
InChIKeyMNPUPPUKGSVWHQ-UHFFFAOYSA-N
XLogP3.11
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 53.11
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

2-(1-methylcyclopropyl)benzaldehyde
CID 118117463
2-[1-(dimethylamino)cyclopentyl]benzaldehyde
CID 115030249
2-[1-(1,1-difluoroethyl)cyclopropyl]benzaldehyde
CID 84723107
2-[1-(methylsulfanylmethyl)cyclopentyl]benzaldehyde
CID 115040494
9,9-dimethylfluorene-4-carbaldehyde
CID 123972608
(3S)-1'-methylspiro[cyclohexene-3,3'-indole]-2'-one
CID 10059075
5,5,9,9-tetramethyl-7,8-dihydro-6H-benzo[7]annulene
CID 125494585
2-[2-(oxo(113C)methyl)phenyl](13C2)benzaldehyde
CID 169434237
1-methylcyclopent-2-ene-1-carboxylate
CID 23127641
methane;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-dicarbaldehyde;1,1,1',1'-tetramethyl-3,3'-spirobi[2H-indene]-4,4'-diol
CID 159547602
(4S,7aS)-4-(benzenesulfonyl)-7a-methyl-1,2,4,5-tetrahydroindene
CID 100980451
2-[(3S)-3-methoxymorpholin-3-yl]benzaldehyde
CID 171192796

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclopent-2-en-1-yl)benzaldehyde?
The IUPAC name of 2-(1-methylcyclopent-2-en-1-yl)benzaldehyde (CID 129216024) is 2-(1-methylcyclopent-2-en-1-yl)benzaldehyde.
What is the SMILES notation for 2-(1-methylcyclopent-2-en-1-yl)benzaldehyde?
The canonical SMILES for 2-(1-methylcyclopent-2-en-1-yl)benzaldehyde is CC1(c2ccccc2C=O)C=CCC1.
What is the InChIKey of 2-(1-methylcyclopent-2-en-1-yl)benzaldehyde?
The InChIKey is MNPUPPUKGSVWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c1-13(8-4-5-9-13)12-7-3-2-6-11(12)10-14/h2-4,6-8,10H,5,9H2,1H3.
What are the key properties of 2-(1-methylcyclopent-2-en-1-yl)benzaldehyde?
2-(1-methylcyclopent-2-en-1-yl)benzaldehyde has a molecular weight of 186.25 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopent-2-en-1-yl)benzaldehyde is sourced from PubChem (CID 129216024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).