3-(oxan-3-ylidene)pyrrolidine

C9H15NO — CID 107138031

IUPAC3-(oxan-3-ylidene)pyrrolidine
SMILESC1COCC(=C2CCNC2)C1
InChIInChI=1S/C9H15NO/c1-2-9(7-11-5-1)8-3-4-10-6-8/h10H,1-7H2
InChIKeySXOJRSXIZQLAKR-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.09
Rot. Bonds

About 3-(oxan-3-ylidene)pyrrolidine

3-(oxan-3-ylidene)pyrrolidine (PubChem CID 107138031) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-(oxan-3-ylidene)pyrrolidine.

Molecular Properties

Compound Name3-(oxan-3-ylidene)pyrrolidine
PubChem CID107138031
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-(oxan-3-ylidene)pyrrolidine
SMILESC1COCC(=C2CCNC2)C1
InChIInChI=1S/C9H15NO/c1-2-9(7-11-5-1)8-3-4-10-6-8/h10H,1-7H2
InChIKeySXOJRSXIZQLAKR-UHFFFAOYSA-N
XLogP1.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
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 3-(oxan-3-ylidene)pyrrolidine?
The IUPAC name of 3-(oxan-3-ylidene)pyrrolidine (CID 107138031) is 3-(oxan-3-ylidene)pyrrolidine.
What is the SMILES notation for 3-(oxan-3-ylidene)pyrrolidine?
The canonical SMILES for 3-(oxan-3-ylidene)pyrrolidine is C1COCC(=C2CCNC2)C1.
What is the InChIKey of 3-(oxan-3-ylidene)pyrrolidine?
The InChIKey is SXOJRSXIZQLAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-9(7-11-5-1)8-3-4-10-6-8/h10H,1-7H2.
What are the key properties of 3-(oxan-3-ylidene)pyrrolidine?
3-(oxan-3-ylidene)pyrrolidine has a molecular weight of 153.22 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-3-ylidene)pyrrolidine is sourced from PubChem (CID 107138031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).