[1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol

C11H21NO2 — CID 62014346

IUPAC[1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCCCO1
InChIInChI=1S/C11H21NO2/c13-9-10-4-3-6-12(10)8-11-5-1-2-7-14-11/h10-11,13H,1-9H2
InChIKeyMQTAQHVWVUYKFZ-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.01
Rot. Bonds3

About [1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol

[1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 62014346) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is [1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID62014346
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name[1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCCCO1
InChIInChI=1S/C11H21NO2/c13-9-10-4-3-6-12(10)8-11-5-1-2-7-14-11/h10-11,13H,1-9H2
InChIKeyMQTAQHVWVUYKFZ-UHFFFAOYSA-N
XLogP1.01
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 112734020
[1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 61407709
[1-(oxan-2-ylmethyl)piperidin-2-yl]methanamine
CID 43591930
1-[1-(oxan-2-ylmethyl)azepan-2-yl]propan-2-ol
CID 114338640
[(2R)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 112734122
[1-(oxolan-2-ylmethyl)piperazin-2-yl]methanol
CID 82241239
[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol
CID 116637488
1-[[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methyl]piperidine
CID 56824355
1-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]propan-2-one
CID 79545987
[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62736578
[1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62016718
2-(3-chloropropyl)-1-(oxolan-2-ylmethyl)pyrrolidine
CID 63388857

Frequently Asked Questions

What is the IUPAC name of [1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol (CID 62014346) is [1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol is OCC1CCCN1CC1CCCCO1.
What is the InChIKey of [1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is MQTAQHVWVUYKFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c13-9-10-4-3-6-12(10)8-11-5-1-2-7-14-11/h10-11,13H,1-9H2.
What are the key properties of [1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol?
[1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 199.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 62014346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).