[1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol

C10H21NO2 — CID 169202555

IUPAC[1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol
SMILESCC(C)OCC1(CO)CCCN1C
InChIInChI=1S/C10H21NO2/c1-9(2)13-8-10(7-12)5-4-6-11(10)3/h9,12H,4-8H2,1-3H3
InChIKeyXMMHWUHSGIVEFU-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.87
Rot. Bonds4

About [1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol

[1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol (PubChem CID 169202555) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is [1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol
PubChem CID169202555
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name[1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol
SMILESCC(C)OCC1(CO)CCCN1C
InChIInChI=1S/C10H21NO2/c1-9(2)13-8-10(7-12)5-4-6-11(10)3/h9,12H,4-8H2,1-3H3
InChIKeyXMMHWUHSGIVEFU-UHFFFAOYSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol (CID 169202555) is [1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol is CC(C)OCC1(CO)CCCN1C.
What is the InChIKey of [1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol?
The InChIKey is XMMHWUHSGIVEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-9(2)13-8-10(7-12)5-4-6-11(10)3/h9,12H,4-8H2,1-3H3.
What are the key properties of [1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol?
[1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol has a molecular weight of 187.28 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-2-(propan-2-yloxymethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 169202555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).