3-(3-methylbut-2-enoxymethyl)pyrrolidine

C10H19NO — CID 62371050

IUPAC3-(3-methylbut-2-enoxymethyl)pyrrolidine
SMILESCC(C)=CCOCC1CCNC1
InChIInChI=1S/C10H19NO/c1-9(2)4-6-12-8-10-3-5-11-7-10/h4,10-11H,3,5-8H2,1-2H3
InChIKeySIIDENIVWBLALQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.58
Rot. Bonds4

About 3-(3-methylbut-2-enoxymethyl)pyrrolidine

3-(3-methylbut-2-enoxymethyl)pyrrolidine (PubChem CID 62371050) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-(3-methylbut-2-enoxymethyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-methylbut-2-enoxymethyl)pyrrolidine
PubChem CID62371050
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-(3-methylbut-2-enoxymethyl)pyrrolidine
SMILESCC(C)=CCOCC1CCNC1
InChIInChI=1S/C10H19NO/c1-9(2)4-6-12-8-10-3-5-11-7-10/h4,10-11H,3,5-8H2,1-2H3
InChIKeySIIDENIVWBLALQ-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbut-2-enoxymethyl)pyrrolidine?
The IUPAC name of 3-(3-methylbut-2-enoxymethyl)pyrrolidine (CID 62371050) is 3-(3-methylbut-2-enoxymethyl)pyrrolidine.
What is the SMILES notation for 3-(3-methylbut-2-enoxymethyl)pyrrolidine?
The canonical SMILES for 3-(3-methylbut-2-enoxymethyl)pyrrolidine is CC(C)=CCOCC1CCNC1.
What is the InChIKey of 3-(3-methylbut-2-enoxymethyl)pyrrolidine?
The InChIKey is SIIDENIVWBLALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)4-6-12-8-10-3-5-11-7-10/h4,10-11H,3,5-8H2,1-2H3.
What are the key properties of 3-(3-methylbut-2-enoxymethyl)pyrrolidine?
3-(3-methylbut-2-enoxymethyl)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 3-(3-methylbut-2-enoxymethyl)pyrrolidine is sourced from PubChem (CID 62371050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).