4-methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine

C9H15NO — CID 176568431

IUPAC4-methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine
SMILESC=C1CNC(COC(=C)C)C1
InChIInChI=1S/C9H15NO/c1-7(2)11-6-9-4-8(3)5-10-9/h9-10H,1,3-6H2,2H3
InChIKeyZVYOVAQOIIPYRG-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.45
Rot. Bonds3

About 4-methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine

4-methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine (PubChem CID 176568431) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name4-methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine
PubChem CID176568431
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine
SMILESC=C1CNC(COC(=C)C)C1
InChIInChI=1S/C9H15NO/c1-7(2)11-6-9-4-8(3)5-10-9/h9-10H,1,3-6H2,2H3
InChIKeyZVYOVAQOIIPYRG-UHFFFAOYSA-N
XLogP1.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(Pent-4-enoxymethyl)pyrrolidine
CID 64313140
(Z)-2-[1-[(2S)-pyrrolidin-2-yl]ethenoxy]ethenamine
CID 70311844
(Z)-2-(1-pyrrolidin-2-ylethenoxy)ethenamine
CID 70315607
2-(1-Methoxyethenyl)pyrrolidine
CID 91128615
(2S)-2-[1-(5,5-dimethylhexoxy)ethenyl]pyrrolidine
CID 118680736
[(2S)-4-methylidenepyrrolidin-2-yl]methyl acetate
CID 118994793
(2S)-2-(1-ethoxyethenyl)pyrrolidine
CID 126635209
2-[(2-Methylpropan-2-yl)oxymethyl]-4-propan-2-ylidenepyrrolidine
CID 132133663
(4Z)-4-ethylidene-2-(methoxymethyl)pyrrolidine
CID 139397543
2-(1-Cyclopentyloxyethenyl)pyrrolidin-1-ium
CID 143896460
2-methoxy-6-methyl-N-propan-2-ylhepta-1,6-dien-3-amine
CID 156303186
(2S)-2-(1-methoxyethenyl)pyrrolidine;hydrochloride
CID 157183834

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
The IUPAC name of 4-methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine (CID 176568431) is 4-methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for 4-methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
The canonical SMILES for 4-methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine is C=C1CNC(COC(=C)C)C1.
What is the InChIKey of 4-methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
The InChIKey is ZVYOVAQOIIPYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)11-6-9-4-8(3)5-10-9/h9-10H,1,3-6H2,2H3.
What are the key properties of 4-methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine?
4-methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine has a molecular weight of 153.22 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2-(prop-1-en-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 176568431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).