1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone

C11H11NO4 — CID 63107498

IUPAC1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CC(O)C1
InChIInChI=1S/C11H11NO4/c13-8-4-12(5-8)11(14)7-1-2-9-10(3-7)16-6-15-9/h1-3,8,13H,4-6H2
InChIKeyWFLRTZUJXZQHPE-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.23
Rot. Bonds1

About 1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone

1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 63107498) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone
PubChem CID63107498
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone
SMILESO=C(c1ccc2c(c1)OCO2)N1CC(O)C1
InChIInChI=1S/C11H11NO4/c13-8-4-12(5-8)11(14)7-1-2-9-10(3-7)16-6-15-9/h1-3,8,13H,4-6H2
InChIKeyWFLRTZUJXZQHPE-UHFFFAOYSA-N
XLogP0.23
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 79410251
1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66195384
1,3-benzodioxol-5-yl(3,6-dihydro-2H-pyridin-1-yl)methanone
CID 11776063
3-[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]imidazolidine-2,4-dione
CID 121017222
(3S,4S)-1-(1,3-benzodioxole-5-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120950427
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3-hydroxypiperidin-1-yl)methanone
CID 43393312
1,3-benzodioxol-5-yl-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 81465868
1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone
CID 108537024
1-(1,3-benzodioxole-5-carbonyl)-4-hydroxypiperidine-4-carboxylic acid
CID 119251925
[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-(1,3-benzodioxol-5-yl)methanone;hydrochloride
CID 120748221
[1-(1,3-benzodioxole-5-carbonyl)azetidin-3-yl]-(2,6-dimethylpiperidin-1-yl)methanone
CID 90512712

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone (CID 63107498) is 1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone is O=C(c1ccc2c(c1)OCO2)N1CC(O)C1.
What is the InChIKey of 1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone?
The InChIKey is WFLRTZUJXZQHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-8-4-12(5-8)11(14)7-1-2-9-10(3-7)16-6-15-9/h1-3,8,13H,4-6H2.
What are the key properties of 1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone?
1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 221.21 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 63107498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).