2-(but-3-en-2-yloxymethyl)pyrrolidine

C9H17NO — CID 62382130

IUPAC2-(but-3-en-2-yloxymethyl)pyrrolidine
SMILESC=CC(C)OCC1CCCN1
InChIInChI=1S/C9H17NO/c1-3-8(2)11-7-9-5-4-6-10-9/h3,8-10H,1,4-7H2,2H3
InChIKeyDPCJQKZMVRZEJW-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds4

About 2-(but-3-en-2-yloxymethyl)pyrrolidine

2-(but-3-en-2-yloxymethyl)pyrrolidine (PubChem CID 62382130) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(but-3-en-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(but-3-en-2-yloxymethyl)pyrrolidine
PubChem CID62382130
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(but-3-en-2-yloxymethyl)pyrrolidine
SMILESC=CC(C)OCC1CCCN1
InChIInChI=1S/C9H17NO/c1-3-8(2)11-7-9-5-4-6-10-9/h3,8-10H,1,4-7H2,2H3
InChIKeyDPCJQKZMVRZEJW-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
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 2-(but-3-en-2-yloxymethyl)pyrrolidine?
The IUPAC name of 2-(but-3-en-2-yloxymethyl)pyrrolidine (CID 62382130) is 2-(but-3-en-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 2-(but-3-en-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 2-(but-3-en-2-yloxymethyl)pyrrolidine is C=CC(C)OCC1CCCN1.
What is the InChIKey of 2-(but-3-en-2-yloxymethyl)pyrrolidine?
The InChIKey is DPCJQKZMVRZEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8(2)11-7-9-5-4-6-10-9/h3,8-10H,1,4-7H2,2H3.
What are the key properties of 2-(but-3-en-2-yloxymethyl)pyrrolidine?
2-(but-3-en-2-yloxymethyl)pyrrolidine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(but-3-en-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 62382130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).