3-(cyclobutylmethylidene)pyrrolidine

C9H15N — CID 79880005

IUPAC3-(cyclobutylmethylidene)pyrrolidine
SMILESC(=C1CCNC1)C1CCC1
InChIInChI=1S/C9H15N/c1-2-8(3-1)6-9-4-5-10-7-9/h6,8,10H,1-5,7H2
InChIKeyBVLURFFPYHRHRH-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.71
Rot. Bonds1

About 3-(cyclobutylmethylidene)pyrrolidine

3-(cyclobutylmethylidene)pyrrolidine (PubChem CID 79880005) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 3-(cyclobutylmethylidene)pyrrolidine.

Molecular Properties

Compound Name3-(cyclobutylmethylidene)pyrrolidine
PubChem CID79880005
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name3-(cyclobutylmethylidene)pyrrolidine
SMILESC(=C1CCNC1)C1CCC1
InChIInChI=1S/C9H15N/c1-2-8(3-1)6-9-4-5-10-7-9/h6,8,10H,1-5,7H2
InChIKeyBVLURFFPYHRHRH-UHFFFAOYSA-N
XLogP1.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(cyclobutylmethylidene)pyrrolidine?
The IUPAC name of 3-(cyclobutylmethylidene)pyrrolidine (CID 79880005) is 3-(cyclobutylmethylidene)pyrrolidine.
What is the SMILES notation for 3-(cyclobutylmethylidene)pyrrolidine?
The canonical SMILES for 3-(cyclobutylmethylidene)pyrrolidine is C(=C1CCNC1)C1CCC1.
What is the InChIKey of 3-(cyclobutylmethylidene)pyrrolidine?
The InChIKey is BVLURFFPYHRHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-2-8(3-1)6-9-4-5-10-7-9/h6,8,10H,1-5,7H2.
What are the key properties of 3-(cyclobutylmethylidene)pyrrolidine?
3-(cyclobutylmethylidene)pyrrolidine has a molecular weight of 137.23 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethylidene)pyrrolidine is sourced from PubChem (CID 79880005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).