[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone

C10H17NO3 — CID 104979230

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2CC[C@H](O)C2)CO1
InChIInChI=1S/C10H17NO3/c1-7-4-8(6-14-7)10(13)11-3-2-9(12)5-11/h7-9,12H,2-6H2,1H3/t7?,8?,9-/m0/s1
InChIKeyYIFPFMDFMDTLLJ-HACHORDNSA-N
MW199.25 g/mol
LogP0.00
Rot. Bonds1

About [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone

[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone (PubChem CID 104979230) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone
PubChem CID104979230
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone
SMILESCC1CC(C(=O)N2CC[C@H](O)C2)CO1
InChIInChI=1S/C10H17NO3/c1-7-4-8(6-14-7)10(13)11-3-2-9(12)5-11/h7-9,12H,2-6H2,1H3/t7?,8?,9-/m0/s1
InChIKeyYIFPFMDFMDTLLJ-HACHORDNSA-N
XLogP0.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-hydroxy-3-methylpiperidin-1-yl)-(5-methyloxolan-3-yl)methanone
CID 114826278
(3-methylazetidin-1-yl)-(5-methyloxolan-3-yl)methanone
CID 130634223
(5-methyloxolan-3-yl)-piperidin-1-ylmethanone
CID 114826120
(5-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 114826121
[(3S)-3-hydroxypyrrolidin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
CID 131113542
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 129368564
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3S)-oxolan-3-yl]methanone
CID 129368566
cyclobutyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291381
[(3S)-3-hydroxypyrrolidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106832199
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(5-methyloxolan-3-yl)methanone
CID 114826243
(5-methyloxolan-3-yl)-[4-(propylamino)piperidin-1-yl]methanone
CID 114824094
cyclohexyl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66260468

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone (CID 104979230) is [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone is CC1CC(C(=O)N2CC[C@H](O)C2)CO1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone?
The InChIKey is YIFPFMDFMDTLLJ-HACHORDNSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7-4-8(6-14-7)10(13)11-3-2-9(12)5-11/h7-9,12H,2-6H2,1H3/t7?,8?,9-/m0/s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone?
[(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone has a molecular weight of 199.25 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-(5-methyloxolan-3-yl)methanone is sourced from PubChem (CID 104979230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).