3-(3,4-dihydro-2H-pyran-6-yl)pyrrolidin-3-ol

C9H15NO2 — CID 102646436

IUPAC3-(3,4-dihydro-2H-pyran-6-yl)pyrrolidin-3-ol
SMILESOC1(C2=CCCCO2)CCNC1
InChIInChI=1S/C9H15NO2/c11-9(4-5-10-7-9)8-3-1-2-6-12-8/h3,10-11H,1-2,4-7H2
InChIKeyQIMCNBVIALIPRY-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.41
Rot. Bonds1

About 3-(3,4-dihydro-2H-pyran-6-yl)pyrrolidin-3-ol

3-(3,4-dihydro-2H-pyran-6-yl)pyrrolidin-3-ol (PubChem CID 102646436) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-6-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-6-yl)pyrrolidin-3-ol
PubChem CID102646436
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-(3,4-dihydro-2H-pyran-6-yl)pyrrolidin-3-ol
SMILESOC1(C2=CCCCO2)CCNC1
InChIInChI=1S/C9H15NO2/c11-9(4-5-10-7-9)8-3-1-2-6-12-8/h3,10-11H,1-2,4-7H2
InChIKeyQIMCNBVIALIPRY-UHFFFAOYSA-N
XLogP0.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)pyrrolidin-3-ol?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-6-yl)pyrrolidin-3-ol (CID 102646436) is 3-(3,4-dihydro-2H-pyran-6-yl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-6-yl)pyrrolidin-3-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-6-yl)pyrrolidin-3-ol is OC1(C2=CCCCO2)CCNC1.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-6-yl)pyrrolidin-3-ol?
The InChIKey is QIMCNBVIALIPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c11-9(4-5-10-7-9)8-3-1-2-6-12-8/h3,10-11H,1-2,4-7H2.
What are the key properties of 3-(3,4-dihydro-2H-pyran-6-yl)pyrrolidin-3-ol?
3-(3,4-dihydro-2H-pyran-6-yl)pyrrolidin-3-ol has a molecular weight of 169.22 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-6-yl)pyrrolidin-3-ol is sourced from PubChem (CID 102646436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).