1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol

C11H19NO2 — CID 130961391

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol
SMILESCC(O)(C1=COCCC1)C1CCNC1
InChIInChI=1S/C11H19NO2/c1-11(13,9-4-5-12-7-9)10-3-2-6-14-8-10/h8-9,12-13H,2-7H2,1H3
InChIKeyDXRKBKAUHZEPIN-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.04
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol

1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol (PubChem CID 130961391) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol
PubChem CID130961391
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol
SMILESCC(O)(C1=COCCC1)C1CCNC1
InChIInChI=1S/C11H19NO2/c1-11(13,9-4-5-12-7-9)10-3-2-6-14-8-10/h8-9,12-13H,2-7H2,1H3
InChIKeyDXRKBKAUHZEPIN-UHFFFAOYSA-N
XLogP1.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-2H-pyran-5-yl)pyrrolidin-3-ol
CID 104057911
3-(3,4-dihydro-2H-pyran-5-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 104057912
1-(3,4-dihydro-2H-pyran-5-yl)-1-piperidin-3-ylethanol
CID 104057913
4-(3,4-dihydro-2H-pyran-5-yl)azepan-4-ol
CID 104058206
2-(3,4-dihydro-2H-pyran-5-yl)-4-(methylamino)butan-2-ol
CID 104059428
2-(3,4-dihydro-2H-pyran-5-yl)-4-(ethylamino)butan-2-ol
CID 104059429
2-(3,4-dihydro-2H-pyran-5-yl)-4-(propylamino)butan-2-ol
CID 104059430
2-(3,4-dihydro-2H-pyran-5-yl)-4-(propan-2-ylamino)butan-2-ol
CID 104059431
4-(tert-butylamino)-2-(3,4-dihydro-2H-pyran-5-yl)butan-2-ol
CID 104059432
2-(3,4-dihydro-2H-pyran-5-yl)-4-(2-methylpropylamino)butan-2-ol
CID 104059433
2-(3,4-dihydro-2H-pyran-5-yl)-4-(2-methoxyethylamino)butan-2-ol
CID 104059434
4-(3,4-dihydro-2H-pyran-5-yl)-3-methylpiperidin-4-ol
CID 114501791

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol (CID 130961391) is 1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol is CC(O)(C1=COCCC1)C1CCNC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol?
The InChIKey is DXRKBKAUHZEPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(13,9-4-5-12-7-9)10-3-2-6-14-8-10/h8-9,12-13H,2-7H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol?
1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol has a molecular weight of 197.28 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol is sourced from PubChem (CID 130961391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).