azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone

C10H18N2O2 — CID 130949562

IUPACazetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CN(C(=O)C2CNC2)CC1O
InChIInChI=1S/C10H18N2O2/c1-10(2)6-12(5-8(10)13)9(14)7-3-11-4-7/h7-8,11,13H,3-6H2,1-2H3
InChIKeyHJLBPMMIJGOBFF-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.56
Rot. Bonds1

About azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone

azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone (PubChem CID 130949562) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Nameazetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone
PubChem CID130949562
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nameazetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CN(C(=O)C2CNC2)CC1O
InChIInChI=1S/C10H18N2O2/c1-10(2)6-12(5-8(10)13)9(14)7-3-11-4-7/h7-8,11,13H,3-6H2,1-2H3
InChIKeyHJLBPMMIJGOBFF-UHFFFAOYSA-N
XLogP-0.56
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azetidin-3-yl-[(4S)-4-(hydroxymethyl)-3,3-dimethylpyrrolidin-1-yl]methanone
CID 129495479
azetidin-3-yl-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219278
azetidin-3-yl-(3-methylazetidin-1-yl)methanone
CID 164653902
1-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)-3-methylbutan-1-one
CID 130871006
tert-butyl (4S)-4-hydroxy-3,3-dimethylpyrrolidine-1-carboxylate
CID 118369273
(4-hydroxy-3,3-dimethylpiperidin-1-yl)-(1-methylpyrrolidin-3-yl)methanone
CID 115276519
azetidin-3-yl-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]methanone
CID 129380965
azetidin-3-yl-(4,5,5,7,7-pentamethyl-1,4-diazocan-1-yl)methanone
CID 91273926
azetidin-3-yl-(3-methoxy-3-methylpiperidin-1-yl)methanone
CID 107392334
1-(azetidine-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318282
azetidin-3-yl-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 50951587
azetidin-3-yl-[8-(methoxymethyl)-6-azaspiro[3.4]octan-6-yl]methanone
CID 121204422

Frequently Asked Questions

What is the IUPAC name of azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone (CID 130949562) is azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone is CC1(C)CN(C(=O)C2CNC2)CC1O.
What is the InChIKey of azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is HJLBPMMIJGOBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2)6-12(5-8(10)13)9(14)7-3-11-4-7/h7-8,11,13H,3-6H2,1-2H3.
What are the key properties of azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone?
azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 198.27 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-3-yl-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 130949562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).