cis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde

C11H12O — CID 45083364

IUPACcis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde
SMILESCc1ccc([C@@H]2C[C@H]2C=O)cc1
InChIInChI=1S/C11H12O/c1-8-2-4-9(5-3-8)11-6-10(11)7-12/h2-5,7,10-11H,6H2,1H3/t10-,11-/m0/s1
InChIKeyNSAPRDVGOYZLEC-QWRGUYRKSA-N
MW160.22 g/mol
LogP2.30
Rot. Bonds2

About cis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde

cis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde (PubChem CID 45083364) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is cis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Namecis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde
PubChem CID45083364
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Namecis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde
SMILESCc1ccc([C@@H]2C[C@H]2C=O)cc1
InChIInChI=1S/C11H12O/c1-8-2-4-9(5-3-8)11-6-10(11)7-12/h2-5,7,10-11H,6H2,1H3/t10-,11-/m0/s1
InChIKeyNSAPRDVGOYZLEC-QWRGUYRKSA-N
XLogP2.30
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 ≤ 52.30
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 cis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of cis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde (CID 45083364) is cis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for cis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for cis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde is Cc1ccc([C@@H]2C[C@H]2C=O)cc1.
What is the InChIKey of cis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde?
The InChIKey is NSAPRDVGOYZLEC-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H12O/c1-8-2-4-9(5-3-8)11-6-10(11)7-12/h2-5,7,10-11H,6H2,1H3/t10-,11-/m0/s1.
What are the key properties of cis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde?
cis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde has a molecular weight of 160.22 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(4-methylphenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 45083364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).