2-(1-methylcyclopropyl)benzaldehyde

C11H12O — CID 118117463

IUPAC2-(1-methylcyclopropyl)benzaldehyde
SMILESCC1(c2ccccc2C=O)CC1
InChIInChI=1S/C11H12O/c1-11(6-7-11)10-5-3-2-4-9(10)8-12/h2-5,8H,6-7H2,1H3
InChIKeyQROMKKKKXUSSDG-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.55
Rot. Bonds2

About 2-(1-methylcyclopropyl)benzaldehyde

2-(1-methylcyclopropyl)benzaldehyde (PubChem CID 118117463) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is 2-(1-methylcyclopropyl)benzaldehyde.

Molecular Properties

Compound Name2-(1-methylcyclopropyl)benzaldehyde
PubChem CID118117463
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name2-(1-methylcyclopropyl)benzaldehyde
SMILESCC1(c2ccccc2C=O)CC1
InChIInChI=1S/C11H12O/c1-11(6-7-11)10-5-3-2-4-9(10)8-12/h2-5,8H,6-7H2,1H3
InChIKeyQROMKKKKXUSSDG-UHFFFAOYSA-N
XLogP2.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methylcyclopropyl)benzaldehyde?
The IUPAC name of 2-(1-methylcyclopropyl)benzaldehyde (CID 118117463) is 2-(1-methylcyclopropyl)benzaldehyde.
What is the SMILES notation for 2-(1-methylcyclopropyl)benzaldehyde?
The canonical SMILES for 2-(1-methylcyclopropyl)benzaldehyde is CC1(c2ccccc2C=O)CC1.
What is the InChIKey of 2-(1-methylcyclopropyl)benzaldehyde?
The InChIKey is QROMKKKKXUSSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O/c1-11(6-7-11)10-5-3-2-4-9(10)8-12/h2-5,8H,6-7H2,1H3.
What are the key properties of 2-(1-methylcyclopropyl)benzaldehyde?
2-(1-methylcyclopropyl)benzaldehyde has a molecular weight of 160.22 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclopropyl)benzaldehyde is sourced from PubChem (CID 118117463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).