(3E)-3-(oxolan-2-ylmethylidene)pyrrolidine

C9H15NO — CID 79879799

IUPAC(3E)-3-(oxolan-2-ylmethylidene)pyrrolidine
SMILESC(=C1\CCNC1)\C1CCCO1
InChIInChI=1S/C9H15NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h6,9-10H,1-5,7H2/b8-6+
InChIKeyRFQHTLHCMZGMNL-SOFGYWHQSA-N
MW153.22 g/mol
LogP1.09
Rot. Bonds1

About (3E)-3-(oxolan-2-ylmethylidene)pyrrolidine

(3E)-3-(oxolan-2-ylmethylidene)pyrrolidine (PubChem CID 79879799) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (3E)-3-(oxolan-2-ylmethylidene)pyrrolidine.

Molecular Properties

Compound Name(3E)-3-(oxolan-2-ylmethylidene)pyrrolidine
PubChem CID79879799
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(3E)-3-(oxolan-2-ylmethylidene)pyrrolidine
SMILESC(=C1\CCNC1)\C1CCCO1
InChIInChI=1S/C9H15NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h6,9-10H,1-5,7H2/b8-6+
InChIKeyRFQHTLHCMZGMNL-SOFGYWHQSA-N
XLogP1.09
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 (3E)-3-(oxolan-2-ylmethylidene)pyrrolidine?
The IUPAC name of (3E)-3-(oxolan-2-ylmethylidene)pyrrolidine (CID 79879799) is (3E)-3-(oxolan-2-ylmethylidene)pyrrolidine.
What is the SMILES notation for (3E)-3-(oxolan-2-ylmethylidene)pyrrolidine?
The canonical SMILES for (3E)-3-(oxolan-2-ylmethylidene)pyrrolidine is C(=C1\CCNC1)\C1CCCO1.
What is the InChIKey of (3E)-3-(oxolan-2-ylmethylidene)pyrrolidine?
The InChIKey is RFQHTLHCMZGMNL-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-9(11-5-1)6-8-3-4-10-7-8/h6,9-10H,1-5,7H2/b8-6+.
What are the key properties of (3E)-3-(oxolan-2-ylmethylidene)pyrrolidine?
(3E)-3-(oxolan-2-ylmethylidene)pyrrolidine has a molecular weight of 153.22 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(oxolan-2-ylmethylidene)pyrrolidine is sourced from PubChem (CID 79879799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).