1-phenylcyclopropane-1-carbaldehyde

C10H10O — CID 11008055

IUPAC1-phenylcyclopropane-1-carbaldehyde
SMILESO=CC1(c2ccccc2)CC1
InChIInChI=1S/C10H10O/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeySMYKJEFTTNCUSN-UHFFFAOYSA-N
MW146.19 g/mol
LogP1.92
Rot. Bonds2

About 1-phenylcyclopropane-1-carbaldehyde

1-phenylcyclopropane-1-carbaldehyde (PubChem CID 11008055) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-phenylcyclopropane-1-carbaldehyde.

Molecular Properties

Compound Name1-phenylcyclopropane-1-carbaldehyde
PubChem CID11008055
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name1-phenylcyclopropane-1-carbaldehyde
SMILESO=CC1(c2ccccc2)CC1
InChIInChI=1S/C10H10O/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2
InChIKeySMYKJEFTTNCUSN-UHFFFAOYSA-N
XLogP1.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 51.92
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-phenylcyclopropane-1-carbaldehyde?
The IUPAC name of 1-phenylcyclopropane-1-carbaldehyde (CID 11008055) is 1-phenylcyclopropane-1-carbaldehyde.
What is the SMILES notation for 1-phenylcyclopropane-1-carbaldehyde?
The canonical SMILES for 1-phenylcyclopropane-1-carbaldehyde is O=CC1(c2ccccc2)CC1.
What is the InChIKey of 1-phenylcyclopropane-1-carbaldehyde?
The InChIKey is SMYKJEFTTNCUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5,8H,6-7H2.
What are the key properties of 1-phenylcyclopropane-1-carbaldehyde?
1-phenylcyclopropane-1-carbaldehyde has a molecular weight of 146.19 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylcyclopropane-1-carbaldehyde is sourced from PubChem (CID 11008055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).