1-(oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine

C13H23NO — CID 90836604

IUPAC1-(oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1CCCN1CC1CCOCC1
InChIInChI=1S/C13H23NO/c1-11(2)13-4-3-7-14(13)10-12-5-8-15-9-6-12/h12-13H,1,3-10H2,2H3
InChIKeyOADMOOUTVHXFHA-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.45
Rot. Bonds3

About 1-(oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine

1-(oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine (PubChem CID 90836604) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine
PubChem CID90836604
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1CCCN1CC1CCOCC1
InChIInChI=1S/C13H23NO/c1-11(2)13-4-3-7-14(13)10-12-5-8-15-9-6-12/h12-13H,1,3-10H2,2H3
InChIKeyOADMOOUTVHXFHA-UHFFFAOYSA-N
XLogP2.45
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 1-(oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine (CID 90836604) is 1-(oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 1-(oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine is C=C(C)C1CCCN1CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine?
The InChIKey is OADMOOUTVHXFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(2)13-4-3-7-14(13)10-12-5-8-15-9-6-12/h12-13H,1,3-10H2,2H3.
What are the key properties of 1-(oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine?
1-(oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine has a molecular weight of 209.33 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-2-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 90836604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).