3-[[5-(methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol

C12H23NO2 — CID 138569426

IUPAC3-[[5-(methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol
SMILESCOCC1CC(CC2CC(O)C2)CN1C
InChIInChI=1S/C12H23NO2/c1-13-7-10(4-11(13)8-15-2)3-9-5-12(14)6-9/h9-12,14H,3-8H2,1-2H3
InChIKeyIQAYKVZDJKYDAM-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.11
Rot. Bonds4

About 3-[[5-(methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol

3-[[5-(methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol (PubChem CID 138569426) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 3-[[5-(methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[[5-(methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol
PubChem CID138569426
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name3-[[5-(methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol
SMILESCOCC1CC(CC2CC(O)C2)CN1C
InChIInChI=1S/C12H23NO2/c1-13-7-10(4-11(13)8-15-2)3-9-5-12(14)6-9/h9-12,14H,3-8H2,1-2H3
InChIKeyIQAYKVZDJKYDAM-UHFFFAOYSA-N
XLogP1.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol?
The IUPAC name of 3-[[5-(methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol (CID 138569426) is 3-[[5-(methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol.
What is the SMILES notation for 3-[[5-(methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol?
The canonical SMILES for 3-[[5-(methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol is COCC1CC(CC2CC(O)C2)CN1C.
What is the InChIKey of 3-[[5-(methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol?
The InChIKey is IQAYKVZDJKYDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-13-7-10(4-11(13)8-15-2)3-9-5-12(14)6-9/h9-12,14H,3-8H2,1-2H3.
What are the key properties of 3-[[5-(methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol?
3-[[5-(methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol has a molecular weight of 213.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methoxymethyl)-1-methylpyrrolidin-3-yl]methyl]cyclobutan-1-ol is sourced from PubChem (CID 138569426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).