(1,4-dimethylpyrrolidin-3-yl)-methoxymethanol

C8H17NO2 — CID 163943609

IUPAC(1,4-dimethylpyrrolidin-3-yl)-methoxymethanol
SMILESCOC(O)C1CN(C)CC1C
InChIInChI=1S/C8H17NO2/c1-6-4-9(2)5-7(6)8(10)11-3/h6-8,10H,4-5H2,1-3H3
InChIKeyRTEHWDOXTRBJCX-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.15
Rot. Bonds2

About (1,4-dimethylpyrrolidin-3-yl)-methoxymethanol

(1,4-dimethylpyrrolidin-3-yl)-methoxymethanol (PubChem CID 163943609) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (1,4-dimethylpyrrolidin-3-yl)-methoxymethanol.

Molecular Properties

Compound Name(1,4-dimethylpyrrolidin-3-yl)-methoxymethanol
PubChem CID163943609
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(1,4-dimethylpyrrolidin-3-yl)-methoxymethanol
SMILESCOC(O)C1CN(C)CC1C
InChIInChI=1S/C8H17NO2/c1-6-4-9(2)5-7(6)8(10)11-3/h6-8,10H,4-5H2,1-3H3
InChIKeyRTEHWDOXTRBJCX-UHFFFAOYSA-N
XLogP0.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,4-dimethylpyrrolidin-3-yl)-methoxymethanol?
The IUPAC name of (1,4-dimethylpyrrolidin-3-yl)-methoxymethanol (CID 163943609) is (1,4-dimethylpyrrolidin-3-yl)-methoxymethanol.
What is the SMILES notation for (1,4-dimethylpyrrolidin-3-yl)-methoxymethanol?
The canonical SMILES for (1,4-dimethylpyrrolidin-3-yl)-methoxymethanol is COC(O)C1CN(C)CC1C.
What is the InChIKey of (1,4-dimethylpyrrolidin-3-yl)-methoxymethanol?
The InChIKey is RTEHWDOXTRBJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6-4-9(2)5-7(6)8(10)11-3/h6-8,10H,4-5H2,1-3H3.
What are the key properties of (1,4-dimethylpyrrolidin-3-yl)-methoxymethanol?
(1,4-dimethylpyrrolidin-3-yl)-methoxymethanol has a molecular weight of 159.23 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,4-dimethylpyrrolidin-3-yl)-methoxymethanol is sourced from PubChem (CID 163943609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).