1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol

C14H27NO2 — CID 158732235

IUPAC1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol
SMILESC=C(C)N1CCC(CC(O)COC(C)(C)C)C1
InChIInChI=1S/C14H27NO2/c1-11(2)15-7-6-12(9-15)8-13(16)10-17-14(3,4)5/h12-13,16H,1,6-10H2,2-5H3
InChIKeyRCZXPQOEFDUTSQ-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.41
Rot. Bonds5

About 1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol

1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol (PubChem CID 158732235) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol
PubChem CID158732235
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol
SMILESC=C(C)N1CCC(CC(O)COC(C)(C)C)C1
InChIInChI=1S/C14H27NO2/c1-11(2)15-7-6-12(9-15)8-13(16)10-17-14(3,4)5/h12-13,16H,1,6-10H2,2-5H3
InChIKeyRCZXPQOEFDUTSQ-UHFFFAOYSA-N
XLogP2.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine
CID 159458863
(2S)-1-cyclopentyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 157185666
1-cyclobutyl-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 105100757
N-(cyclopentylmethyl)-3,3-dimethylbutan-1-amine;3-methyl-1-[3-[(2-methylpropan-2-yl)oxy]propyl]pyrrolidine;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-3-yl)propan-2-ol;(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol;(2S)-1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-2-yl)propan-2-ol;(2R)-1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-3-yl)propan-2-ol;(2S)-1-[(2-methylpropan-2-yl)oxy]-3-(1-methylpyrrolidin-3-yl)propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-2-yl)propan-2-ol;1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol;bis(1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidine)
CID 161465629
(2R)-1-[(2-methylpropan-2-yl)oxy]-3-pyrrolidin-3-ylpropan-2-ol
CID 146334931
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111442666
1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 110900549
2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
CID 19705453
tert-butyl 4-(2-hydroxypentyl)piperidine-1-carboxylate
CID 18423469
1-ethoxy-3-(1-methylpyrrolidin-3-yl)propan-2-ol
CID 167259963
4-ethyl-1-prop-1-en-2-ylpiperidine
CID 142170735
3-methyl-1-prop-1-en-2-ylpyrrolidine
CID 90249054

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol (CID 158732235) is 1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol is C=C(C)N1CCC(CC(O)COC(C)(C)C)C1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol?
The InChIKey is RCZXPQOEFDUTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)15-7-6-12(9-15)8-13(16)10-17-14(3,4)5/h12-13,16H,1,6-10H2,2-5H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol?
1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol has a molecular weight of 241.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]-3-(1-prop-1-en-2-ylpyrrolidin-3-yl)propan-2-ol is sourced from PubChem (CID 158732235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).