(3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone

C10H13NO3 — CID 114821779

IUPAC(3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)(O)C2)co1
InChIInChI=1S/C10H13NO3/c1-7-3-8(4-14-7)9(12)11-5-10(2,13)6-11/h3-4,13H,5-6H2,1-2H3
InChIKeyBHSKWDPYRWFGFM-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.79
Rot. Bonds1

About (3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone

(3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone (PubChem CID 114821779) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is (3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone
PubChem CID114821779
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name(3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone
SMILESCc1cc(C(=O)N2CC(C)(O)C2)co1
InChIInChI=1S/C10H13NO3/c1-7-3-8(4-14-7)9(12)11-5-10(2,13)6-11/h3-4,13H,5-6H2,1-2H3
InChIKeyBHSKWDPYRWFGFM-UHFFFAOYSA-N
XLogP0.79
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-4-carboxylic acid
CID 139013318
3-hydroxy-1-(5-methylfuran-3-carbonyl)piperidine-3-carboxamide
CID 128964564
[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-(5-methylfuran-3-yl)methanone
CID 114821834
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(5-methylfuran-3-yl)methanone
CID 127981809
(3-chloro-5-methylphenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 81323896
4-(5-methylfuran-3-carbonyl)piperazine-1-sulfonamide
CID 114822701
4-methyl-1-(5-methylfuran-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 114819005
(2R)-6-(5-methylfuran-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 129469595
(3-hydroxy-3-methylazetidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922159
3-methyl-1-(5-methylfuran-3-carbonyl)piperidin-4-one
CID 114820820
(3-bromo-5-chlorophenyl)-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 106812651
[3-(methylamino)piperidin-1-yl]-(5-methylfuran-3-yl)methanone
CID 114818395

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone?
The IUPAC name of (3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone (CID 114821779) is (3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone?
The canonical SMILES for (3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone is Cc1cc(C(=O)N2CC(C)(O)C2)co1.
What is the InChIKey of (3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone?
The InChIKey is BHSKWDPYRWFGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7-3-8(4-14-7)9(12)11-5-10(2,13)6-11/h3-4,13H,5-6H2,1-2H3.
What are the key properties of (3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone?
(3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone has a molecular weight of 195.22 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylazetidin-1-yl)-(5-methylfuran-3-yl)methanone is sourced from PubChem (CID 114821779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).