3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine

C12H23NO — CID 159458863

IUPAC3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CCC(COC(C)(C)C)C1
InChIInChI=1S/C12H23NO/c1-10(2)13-7-6-11(8-13)9-14-12(3,4)5/h11H,1,6-9H2,2-5H3
InChIKeyIYLUELBVKSGATR-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.66
Rot. Bonds3

About 3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine

3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine (PubChem CID 159458863) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine
PubChem CID159458863
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)N1CCC(COC(C)(C)C)C1
InChIInChI=1S/C12H23NO/c1-10(2)13-7-6-11(8-13)9-14-12(3,4)5/h11H,1,6-9H2,2-5H3
InChIKeyIYLUELBVKSGATR-UHFFFAOYSA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol
CID 158732235
2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
CID 19705453
tert-butyl 3-[(2-methylpropan-2-yl)oxymethyl]piperidine-1-carboxylate
CID 118163740
4-ethyl-1-prop-1-en-2-ylpiperidine
CID 142170735
tert-butyl (3S)-3-(methoxymethyl)pyrrolidine-1-carboxylate
CID 86332594
3-methyl-1-prop-1-en-2-ylpyrrolidine
CID 90249054
(1-prop-1-en-2-ylpiperidin-4-yl)methanamine
CID 154040818
[4-[(2-methylpropan-2-yl)oxymethyl]piperidin-1-yl]-phenylmethanone
CID 142340211
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115968617
2-bromo-1-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylpropan-1-one
CID 114328777
(1-acetylpyrrolidin-3-yl)methyl N-tert-butylcarbamate
CID 142766919
tert-butyl 3-(methoxymethyl)pyrrolidine-1-carboxylate;ethane;formic acid
CID 144976953

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine (CID 159458863) is 3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine is C=C(C)N1CCC(COC(C)(C)C)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine?
The InChIKey is IYLUELBVKSGATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10(2)13-7-6-11(8-13)9-14-12(3,4)5/h11H,1,6-9H2,2-5H3.
What are the key properties of 3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine?
3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine has a molecular weight of 197.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 159458863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).