[1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol

C12H23NO2 — CID 105400777

IUPAC[1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol
SMILESCC(C1CCOCC1)N1CCC(CO)C1
InChIInChI=1S/C12H23NO2/c1-10(12-3-6-15-7-4-12)13-5-2-11(8-13)9-14/h10-12,14H,2-9H2,1H3
InChIKeyIOBKKMRJETYHJS-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.12
Rot. Bonds3

About [1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol

[1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol (PubChem CID 105400777) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is [1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol
PubChem CID105400777
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name[1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol
SMILESCC(C1CCOCC1)N1CCC(CO)C1
InChIInChI=1S/C12H23NO2/c1-10(12-3-6-15-7-4-12)13-5-2-11(8-13)9-14/h10-12,14H,2-9H2,1H3
InChIKeyIOBKKMRJETYHJS-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol (CID 105400777) is [1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol is CC(C1CCOCC1)N1CCC(CO)C1.
What is the InChIKey of [1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol?
The InChIKey is IOBKKMRJETYHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(12-3-6-15-7-4-12)13-5-2-11(8-13)9-14/h10-12,14H,2-9H2,1H3.
What are the key properties of [1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol?
[1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol has a molecular weight of 213.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(oxan-4-yl)ethyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 105400777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).