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

C8H15NO2 — CID 61407709

IUPAC[1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CO1
InChIInChI=1S/C8H15NO2/c10-5-7-2-1-3-9(7)4-8-6-11-8/h7-8,10H,1-6H2
InChIKeySMIJXIJFDHIUDE-UHFFFAOYSA-N
MW157.21 g/mol
LogP-0.16
Rot. Bonds3

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

[1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol (PubChem CID 61407709) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol
PubChem CID61407709
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CO1
InChIInChI=1S/C8H15NO2/c10-5-7-2-1-3-9(7)4-8-6-11-8/h7-8,10H,1-6H2
InChIKeySMIJXIJFDHIUDE-UHFFFAOYSA-N
XLogP-0.16
TPSA36.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 112734020
[1-(oxan-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62014346
[(2R)-1-[(4-methylmorpholin-2-yl)methyl]pyrrolidin-2-yl]methanol
CID 112734122
[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62736578
[1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62016718
[(2R)-1-[[(2R)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 97228617
[(2S)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)pyrrolidin-2-yl]methanol
CID 79028441
[(2S)-1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
CID 6931395
[1-[[(5R)-2-methylidene-1,3-oxazolidin-5-yl]methyl]pyrrolidin-2-yl]methanol
CID 143282838
[1-[[(2S,6R)-6-methylmorpholin-2-yl]methyl]piperidin-2-yl]methanol
CID 141468073
[1-[(4-methylmorpholin-2-yl)methyl]azepan-2-yl]methanol
CID 116637488
[1-(sulfanylmethyl)pyrrolidin-2-yl]methanol
CID 143677973

Frequently Asked Questions

What is the IUPAC name of [1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol (CID 61407709) is [1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol is OCC1CCCN1CC1CO1.
What is the InChIKey of [1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol?
The InChIKey is SMIJXIJFDHIUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c10-5-7-2-1-3-9(7)4-8-6-11-8/h7-8,10H,1-6H2.
What are the key properties of [1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol?
[1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol has a molecular weight of 157.21 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxiran-2-ylmethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 61407709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).