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

C10H19NO — CID 62332849

IUPAC2-(3-methylbut-2-enoxymethyl)pyrrolidine
SMILESCC(C)=CCOCC1CCCN1
InChIInChI=1S/C10H19NO/c1-9(2)5-7-12-8-10-4-3-6-11-10/h5,10-11H,3-4,6-8H2,1-2H3
InChIKeyDDYMLZBADFYYLQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.72
Rot. Bonds4

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

2-(3-methylbut-2-enoxymethyl)pyrrolidine (PubChem CID 62332849) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-(3-methylbut-2-enoxymethyl)pyrrolidine.

Molecular Properties

Compound Name2-(3-methylbut-2-enoxymethyl)pyrrolidine
PubChem CID62332849
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-(3-methylbut-2-enoxymethyl)pyrrolidine
SMILESCC(C)=CCOCC1CCCN1
InChIInChI=1S/C10H19NO/c1-9(2)5-7-12-8-10-4-3-6-11-10/h5,10-11H,3-4,6-8H2,1-2H3
InChIKeyDDYMLZBADFYYLQ-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
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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Related Compounds

2-methyl-4-(piperidin-2-ylmethoxy)but-2-enoic acid
CID 83212409
(2S)-2-(cyclopropylmethoxymethyl)pyrrolidine
CID 59651686
(2R)-2-(cyclopropylmethoxymethyl)pyrrolidine
CID 102820123
2-(2-methylprop-2-enoxymethyl)piperidine
CID 62339397
2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 20765506
(2S)-2-(propan-2-yloxymethyl)pyrrolidine
CID 28802468
2-(4-methoxybutoxymethyl)pyrrolidine
CID 104648269
2-(ethoxymethyl)pyrrolidine;2-(methoxymethyl)pyrrolidine
CID 145216939
2-(ethoxymethyl)azepane
CID 79569846
2-(cyclohexylmethoxymethyl)pyrrolidine
CID 62335288
(2R)-2-(octoxymethyl)pyrrolidine
CID 102820024
2-(3,3-dimethylbutoxymethyl)pyrrolidine
CID 62335099

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbut-2-enoxymethyl)pyrrolidine?
The IUPAC name of 2-(3-methylbut-2-enoxymethyl)pyrrolidine (CID 62332849) is 2-(3-methylbut-2-enoxymethyl)pyrrolidine.
What is the SMILES notation for 2-(3-methylbut-2-enoxymethyl)pyrrolidine?
The canonical SMILES for 2-(3-methylbut-2-enoxymethyl)pyrrolidine is CC(C)=CCOCC1CCCN1.
What is the InChIKey of 2-(3-methylbut-2-enoxymethyl)pyrrolidine?
The InChIKey is DDYMLZBADFYYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-9(2)5-7-12-8-10-4-3-6-11-10/h5,10-11H,3-4,6-8H2,1-2H3.
What are the key properties of 2-(3-methylbut-2-enoxymethyl)pyrrolidine?
2-(3-methylbut-2-enoxymethyl)pyrrolidine has a molecular weight of 169.27 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbut-2-enoxymethyl)pyrrolidine is sourced from PubChem (CID 62332849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).