3,4-dihydro-2H-pyran-5-yl-[(3S)-pyrrolidin-3-yl]methanol

C10H17NO2 — CID 164654109

IUPAC3,4-dihydro-2H-pyran-5-yl-[(3S)-pyrrolidin-3-yl]methanol
SMILESOC(C1=COCCC1)[C@H]1CCNC1
InChIInChI=1S/C10H17NO2/c12-10(8-3-4-11-6-8)9-2-1-5-13-7-9/h7-8,10-12H,1-6H2/t8-,10?/m0/s1
InChIKeyKOMZCUAKRWTOHJ-PEHGTWAWSA-N
MW183.25 g/mol
LogP0.65
Rot. Bonds2

About 3,4-dihydro-2H-pyran-5-yl-[(3S)-pyrrolidin-3-yl]methanol

3,4-dihydro-2H-pyran-5-yl-[(3S)-pyrrolidin-3-yl]methanol (PubChem CID 164654109) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-[(3S)-pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-[(3S)-pyrrolidin-3-yl]methanol
PubChem CID164654109
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3,4-dihydro-2H-pyran-5-yl-[(3S)-pyrrolidin-3-yl]methanol
SMILESOC(C1=COCCC1)[C@H]1CCNC1
InChIInChI=1S/C10H17NO2/c12-10(8-3-4-11-6-8)9-2-1-5-13-7-9/h7-8,10-12H,1-6H2/t8-,10?/m0/s1
InChIKeyKOMZCUAKRWTOHJ-PEHGTWAWSA-N
XLogP0.65
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.65
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
3,4-dihydro-2H-pyran-5-yl(piperidin-4-yl)methanol
CID 104058137
3,4-dihydro-2H-pyran-5-yl(piperidin-3-yl)methanol
CID 104058138
2-(3,4-dihydro-2H-pyran-5-yl)-4-(2-methylpropylamino)butan-2-ol
CID 104059433
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-5-yl)-3-methylbutan-1-ol
CID 107443077
1-(3,4-dihydro-2H-pyran-5-yl)-1-pyrrolidin-3-ylethanol
CID 130961391
1-(4,5-Dihydrofuran-3-yl)-2-(pyrrolidin-3-yl)ethan-1-ol
CID 164650142
(4,5-Dihydrofuran-3-yl)(pyrrolidin-3-yl)methanol
CID 164650225
(4,5-Dihydrofuran-3-yl)[(3s)-pyrrolidin-3-yl]methanol
CID 164654574

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[(3S)-pyrrolidin-3-yl]methanol?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-[(3S)-pyrrolidin-3-yl]methanol (CID 164654109) is 3,4-dihydro-2H-pyran-5-yl-[(3S)-pyrrolidin-3-yl]methanol.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-[(3S)-pyrrolidin-3-yl]methanol?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-[(3S)-pyrrolidin-3-yl]methanol is OC(C1=COCCC1)[C@H]1CCNC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-[(3S)-pyrrolidin-3-yl]methanol?
The InChIKey is KOMZCUAKRWTOHJ-PEHGTWAWSA-N. The full InChI is InChI=1S/C10H17NO2/c12-10(8-3-4-11-6-8)9-2-1-5-13-7-9/h7-8,10-12H,1-6H2/t8-,10?/m0/s1.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-[(3S)-pyrrolidin-3-yl]methanol?
3,4-dihydro-2H-pyran-5-yl-[(3S)-pyrrolidin-3-yl]methanol has a molecular weight of 183.25 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-5-yl-[(3S)-pyrrolidin-3-yl]methanol is sourced from PubChem (CID 164654109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).