2-(1-methoxy-2-methylbut-3-enyl)pyrrolidine

C10H19NO — CID 123194034

IUPAC2-(1-methoxy-2-methylbut-3-enyl)pyrrolidine
SMILESC=CC(C)C(OC)C1CCCN1
InChIInChI=1S/C10H19NO/c1-4-8(2)10(12-3)9-6-5-7-11-9/h4,8-11H,1,5-7H2,2-3H3
InChIKeyLWCMCZJUAPTYEG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds4

About 2-(1-methoxy-2-methylbut-3-enyl)pyrrolidine

2-(1-methoxy-2-methylbut-3-enyl)pyrrolidine (PubChem CID 123194034) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(1-methoxy-2-methylbut-3-enyl)pyrrolidine.

Molecular Properties

Compound Name2-(1-methoxy-2-methylbut-3-enyl)pyrrolidine
PubChem CID123194034
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(1-methoxy-2-methylbut-3-enyl)pyrrolidine
SMILESC=CC(C)C(OC)C1CCCN1
InChIInChI=1S/C10H19NO/c1-4-8(2)10(12-3)9-6-5-7-11-9/h4,8-11H,1,5-7H2,2-3H3
InChIKeyLWCMCZJUAPTYEG-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.58
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-(1-methoxy-2-methylbut-3-enyl)pyrrolidine?
The IUPAC name of 2-(1-methoxy-2-methylbut-3-enyl)pyrrolidine (CID 123194034) is 2-(1-methoxy-2-methylbut-3-enyl)pyrrolidine.
What is the SMILES notation for 2-(1-methoxy-2-methylbut-3-enyl)pyrrolidine?
The canonical SMILES for 2-(1-methoxy-2-methylbut-3-enyl)pyrrolidine is C=CC(C)C(OC)C1CCCN1.
What is the InChIKey of 2-(1-methoxy-2-methylbut-3-enyl)pyrrolidine?
The InChIKey is LWCMCZJUAPTYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-8(2)10(12-3)9-6-5-7-11-9/h4,8-11H,1,5-7H2,2-3H3.
What are the key properties of 2-(1-methoxy-2-methylbut-3-enyl)pyrrolidine?
2-(1-methoxy-2-methylbut-3-enyl)pyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2-methylbut-3-enyl)pyrrolidine is sourced from PubChem (CID 123194034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).