cyclobutane;propanal

C7H14O — CID 174643363

IUPACcyclobutane;propanal
SMILESC1CCC1.CCC=O
InChIInChI=1S/C4H8.C3H6O/c1-2-4-3-1;1-2-3-4/h1-4H2;3H,2H2,1H3
InChIKeyOJWRZNHLFQETMK-UHFFFAOYSA-N
MW114.19 g/mol
LogP2.16
Rot. Bonds1

About cyclobutane;propanal

cyclobutane;propanal (PubChem CID 174643363) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is cyclobutane;propanal.

Molecular Properties

Compound Namecyclobutane;propanal
PubChem CID174643363
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Namecyclobutane;propanal
SMILESC1CCC1.CCC=O
InChIInChI=1S/C4H8.C3H6O/c1-2-4-3-1;1-2-3-4/h1-4H2;3H,2H2,1H3
InChIKeyOJWRZNHLFQETMK-UHFFFAOYSA-N
XLogP2.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 52.16
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 cyclobutane;propanal?
The IUPAC name of cyclobutane;propanal (CID 174643363) is cyclobutane;propanal.
What is the SMILES notation for cyclobutane;propanal?
The canonical SMILES for cyclobutane;propanal is C1CCC1.CCC=O.
What is the InChIKey of cyclobutane;propanal?
The InChIKey is OJWRZNHLFQETMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C3H6O/c1-2-4-3-1;1-2-3-4/h1-4H2;3H,2H2,1H3.
What are the key properties of cyclobutane;propanal?
cyclobutane;propanal has a molecular weight of 114.19 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutane;propanal is sourced from PubChem (CID 174643363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).