oxolan-3-yl(pyrrolidin-1-yl)methanol

C9H17NO2 — CID 123328899

IUPACoxolan-3-yl(pyrrolidin-1-yl)methanol
SMILESOC(C1CCOC1)N1CCCC1
InChIInChI=1S/C9H17NO2/c11-9(8-3-6-12-7-8)10-4-1-2-5-10/h8-9,11H,1-7H2
InChIKeyIGCVRLKRJABYSC-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.44
Rot. Bonds2

About oxolan-3-yl(pyrrolidin-1-yl)methanol

oxolan-3-yl(pyrrolidin-1-yl)methanol (PubChem CID 123328899) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is oxolan-3-yl(pyrrolidin-1-yl)methanol.

Molecular Properties

Compound Nameoxolan-3-yl(pyrrolidin-1-yl)methanol
PubChem CID123328899
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameoxolan-3-yl(pyrrolidin-1-yl)methanol
SMILESOC(C1CCOC1)N1CCCC1
InChIInChI=1S/C9H17NO2/c11-9(8-3-6-12-7-8)10-4-1-2-5-10/h8-9,11H,1-7H2
InChIKeyIGCVRLKRJABYSC-UHFFFAOYSA-N
XLogP0.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-(3-Isopropoxypropyl)pyrrolidin-3-yl)methanol
CID 24275454
3-[3-(Hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 53211517
4-[3-(Hydroxymethyl)pyrrolidin-1-yl]butan-1-ol
CID 62372429
3-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 68638113
4-Pyrrolidin-1-yl-4-(3-pyrrolidin-1-ylpropoxy)butan-1-ol
CID 69322179
Butane-1,4-diol;1-methylpyrrolidine;oxolane
CID 158208419
[4-(Hydroxymethyl)-1-propylpyrrolidin-3-yl]methanol
CID 170958201
Methanol;(1-propylpyrrolidin-3-yl)methanol
CID 172620520
[1-Ethyl-4-(hydroxymethyl)pyrrolidin-3-yl]methanol
CID 172620684
[1-(3-Methoxypropyl)pyrrolidin-3-yl]methanol
CID 24275429
[1-(3-Ethoxypropyl)pyrrolidin-3-yl]methanol
CID 24275453
[(3R)-1-(3-methoxypropyl)pyrrolidin-3-yl]methanol
CID 42258716

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl(pyrrolidin-1-yl)methanol?
The IUPAC name of oxolan-3-yl(pyrrolidin-1-yl)methanol (CID 123328899) is oxolan-3-yl(pyrrolidin-1-yl)methanol.
What is the SMILES notation for oxolan-3-yl(pyrrolidin-1-yl)methanol?
The canonical SMILES for oxolan-3-yl(pyrrolidin-1-yl)methanol is OC(C1CCOC1)N1CCCC1.
What is the InChIKey of oxolan-3-yl(pyrrolidin-1-yl)methanol?
The InChIKey is IGCVRLKRJABYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-9(8-3-6-12-7-8)10-4-1-2-5-10/h8-9,11H,1-7H2.
What are the key properties of oxolan-3-yl(pyrrolidin-1-yl)methanol?
oxolan-3-yl(pyrrolidin-1-yl)methanol has a molecular weight of 171.24 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl(pyrrolidin-1-yl)methanol is sourced from PubChem (CID 123328899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).