1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde

C13H14O — CID 117047057

IUPAC1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(c2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C13H14O/c14-9-13(7-8-13)12-5-3-11(4-6-12)10-1-2-10/h3-6,9-10H,1-2,7-8H2
InChIKeyGYDJGIRECZAPFR-UHFFFAOYSA-N
MW186.25 g/mol
LogP2.79
Rot. Bonds3

About 1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde

1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde (PubChem CID 117047057) has the molecular formula C13H14O and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde
PubChem CID117047057
Molecular FormulaC13H14O
Molecular Weight186.25 g/mol
Exact Mass186.10
IUPAC Name1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde
SMILESO=CC1(c2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C13H14O/c14-9-13(7-8-13)12-5-3-11(4-6-12)10-1-2-10/h3-6,9-10H,1-2,7-8H2
InChIKeyGYDJGIRECZAPFR-UHFFFAOYSA-N
XLogP2.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 52.79
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 1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde?
The IUPAC name of 1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde (CID 117047057) is 1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde?
The canonical SMILES for 1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde is O=CC1(c2ccc(C3CC3)cc2)CC1.
What is the InChIKey of 1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde?
The InChIKey is GYDJGIRECZAPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O/c14-9-13(7-8-13)12-5-3-11(4-6-12)10-1-2-10/h3-6,9-10H,1-2,7-8H2.
What are the key properties of 1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde?
1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde has a molecular weight of 186.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)cyclopropane-1-carbaldehyde is sourced from PubChem (CID 117047057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).