[1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol

C10H21NO2 — CID 104567928

IUPAC[1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol
SMILESCOC(C)(C)CN1CCC(CO)C1
InChIInChI=1S/C10H21NO2/c1-10(2,13-3)8-11-5-4-9(6-11)7-12/h9,12H,4-8H2,1-3H3
InChIKeyKHWQDQONOFKZRV-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.73
Rot. Bonds4

About [1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol

[1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol (PubChem CID 104567928) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is [1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol
PubChem CID104567928
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name[1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol
SMILESCOC(C)(C)CN1CCC(CO)C1
InChIInChI=1S/C10H21NO2/c1-10(2,13-3)8-11-5-4-9(6-11)7-12/h9,12H,4-8H2,1-3H3
InChIKeyKHWQDQONOFKZRV-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol (CID 104567928) is [1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol is COC(C)(C)CN1CCC(CO)C1.
What is the InChIKey of [1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol?
The InChIKey is KHWQDQONOFKZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-10(2,13-3)8-11-5-4-9(6-11)7-12/h9,12H,4-8H2,1-3H3.
What are the key properties of [1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol?
[1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol has a molecular weight of 187.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-2-methylpropyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 104567928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).