5-(oxan-2-yl)pyrrolidin-3-ol

C9H17NO2 — CID 164650303

IUPAC5-(oxan-2-yl)pyrrolidin-3-ol
SMILESOC1CNC(C2CCCCO2)C1
InChIInChI=1S/C9H17NO2/c11-7-5-8(10-6-7)9-3-1-2-4-12-9/h7-11H,1-6H2
InChIKeyCBRQUVDTNXAJOG-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.28
Rot. Bonds1

About 5-(oxan-2-yl)pyrrolidin-3-ol

5-(oxan-2-yl)pyrrolidin-3-ol (PubChem CID 164650303) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-(oxan-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(oxan-2-yl)pyrrolidin-3-ol
PubChem CID164650303
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-(oxan-2-yl)pyrrolidin-3-ol
SMILESOC1CNC(C2CCCCO2)C1
InChIInChI=1S/C9H17NO2/c11-7-5-8(10-6-7)9-3-1-2-4-12-9/h7-11H,1-6H2
InChIKeyCBRQUVDTNXAJOG-UHFFFAOYSA-N
XLogP0.28
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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7-methyl-2,3,4,5,5a,6,7,8,9,9a-decahydrobenzo[b][1,4]oxazepine
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2-oxa-6-azabicyclo[3.2.0]heptane
CID 18923028
(3aS,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrole
CID 96637802
2-(oxan-2-yl)-2,3,3a,4-tetrahydro-1H-indole
CID 151869351
(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
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CID 139826311
2-(oxiran-2-yl)oxolane
CID 18759351
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CID 174100018

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-2-yl)pyrrolidin-3-ol?
The IUPAC name of 5-(oxan-2-yl)pyrrolidin-3-ol (CID 164650303) is 5-(oxan-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(oxan-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-(oxan-2-yl)pyrrolidin-3-ol is OC1CNC(C2CCCCO2)C1.
What is the InChIKey of 5-(oxan-2-yl)pyrrolidin-3-ol?
The InChIKey is CBRQUVDTNXAJOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c11-7-5-8(10-6-7)9-3-1-2-4-12-9/h7-11H,1-6H2.
What are the key properties of 5-(oxan-2-yl)pyrrolidin-3-ol?
5-(oxan-2-yl)pyrrolidin-3-ol has a molecular weight of 171.24 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 164650303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).