3-(1-methylcyclopropyl)propanal

C7H12O — CID 22421116

IUPAC3-(1-methylcyclopropyl)propanal
SMILESCC1(CCC=O)CC1
InChIInChI=1S/C7H12O/c1-7(4-5-7)3-2-6-8/h6H,2-5H2,1H3
InChIKeyDGFPYIKCOKQJPR-UHFFFAOYSA-N
MW112.17 g/mol
LogP1.77
Rot. Bonds3

About 3-(1-methylcyclopropyl)propanal

3-(1-methylcyclopropyl)propanal (PubChem CID 22421116) has the molecular formula C7H12O and a molecular weight of 112.17 g/mol. Its IUPAC name is 3-(1-methylcyclopropyl)propanal.

Molecular Properties

Compound Name3-(1-methylcyclopropyl)propanal
PubChem CID22421116
Molecular FormulaC7H12O
Molecular Weight112.17 g/mol
Exact Mass112.09
IUPAC Name3-(1-methylcyclopropyl)propanal
SMILESCC1(CCC=O)CC1
InChIInChI=1S/C7H12O/c1-7(4-5-7)3-2-6-8/h6H,2-5H2,1H3
InChIKeyDGFPYIKCOKQJPR-UHFFFAOYSA-N
XLogP1.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.17
LogP ≤ 51.77
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 3-(1-methylcyclopropyl)propanal?
The IUPAC name of 3-(1-methylcyclopropyl)propanal (CID 22421116) is 3-(1-methylcyclopropyl)propanal.
What is the SMILES notation for 3-(1-methylcyclopropyl)propanal?
The canonical SMILES for 3-(1-methylcyclopropyl)propanal is CC1(CCC=O)CC1.
What is the InChIKey of 3-(1-methylcyclopropyl)propanal?
The InChIKey is DGFPYIKCOKQJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O/c1-7(4-5-7)3-2-6-8/h6H,2-5H2,1H3.
What are the key properties of 3-(1-methylcyclopropyl)propanal?
3-(1-methylcyclopropyl)propanal has a molecular weight of 112.17 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclopropyl)propanal is sourced from PubChem (CID 22421116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).