2-(oxolan-2-yl)prop-2-enal

C7H10O2 — CID 117266775

IUPAC2-(oxolan-2-yl)prop-2-enal
SMILESC=C(C=O)C1CCCO1
InChIInChI=1S/C7H10O2/c1-6(5-8)7-3-2-4-9-7/h5,7H,1-4H2
InChIKeyWCSNOMPPAGDMQA-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.92
Rot. Bonds2

About 2-(oxolan-2-yl)prop-2-enal

2-(oxolan-2-yl)prop-2-enal (PubChem CID 117266775) has the molecular formula C7H10O2 and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-(oxolan-2-yl)prop-2-enal.

Molecular Properties

Compound Name2-(oxolan-2-yl)prop-2-enal
PubChem CID117266775
Molecular FormulaC7H10O2
Molecular Weight126.16 g/mol
Exact Mass126.07
IUPAC Name2-(oxolan-2-yl)prop-2-enal
SMILESC=C(C=O)C1CCCO1
InChIInChI=1S/C7H10O2/c1-6(5-8)7-3-2-4-9-7/h5,7H,1-4H2
InChIKeyWCSNOMPPAGDMQA-UHFFFAOYSA-N
XLogP0.92
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)prop-2-enal?
The IUPAC name of 2-(oxolan-2-yl)prop-2-enal (CID 117266775) is 2-(oxolan-2-yl)prop-2-enal.
What is the SMILES notation for 2-(oxolan-2-yl)prop-2-enal?
The canonical SMILES for 2-(oxolan-2-yl)prop-2-enal is C=C(C=O)C1CCCO1.
What is the InChIKey of 2-(oxolan-2-yl)prop-2-enal?
The InChIKey is WCSNOMPPAGDMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-6(5-8)7-3-2-4-9-7/h5,7H,1-4H2.
What are the key properties of 2-(oxolan-2-yl)prop-2-enal?
2-(oxolan-2-yl)prop-2-enal has a molecular weight of 126.16 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)prop-2-enal is sourced from PubChem (CID 117266775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).