5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione

C9H13NO3 — CID 54151225

IUPAC5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione
SMILESCC1(O)CC(N2CCC2)C(=O)C1=O
InChIInChI=1S/C9H13NO3/c1-9(13)5-6(7(11)8(9)12)10-3-2-4-10/h6,13H,2-5H2,1H3
InChIKeyOHWNQBNFIRTYON-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.65
Rot. Bonds1

About 5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione

5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione (PubChem CID 54151225) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione.

Molecular Properties

Compound Name5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione
PubChem CID54151225
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Name5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione
SMILESCC1(O)CC(N2CCC2)C(=O)C1=O
InChIInChI=1S/C9H13NO3/c1-9(13)5-6(7(11)8(9)12)10-3-2-4-10/h6,13H,2-5H2,1H3
InChIKeyOHWNQBNFIRTYON-UHFFFAOYSA-N
XLogP-0.65
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2,5-dihydroxy-2-methyl-4-piperidin-1-ylcyclopentan-1-one
CID 23558558
3-hydroxy-3-methyl-6-propan-2-ylcyclohexane-1,2-dione
CID 12972800
3-hydroxy-5-piperidin-1-ylcyclopentane-1,2-dione
CID 54564519
3-[4-(2,5-dioxopyrrolidin-3-yl)-1,4-diazepan-1-yl]pyrrolidine-2,5-dione
CID 5093773
CID 102063381
CID 102063381
(2R)-2-hydroxy-2-methylcyclopentan-1-one
CID 13397596
3-pyrrolidin-1-ylpyrrolidine-2,5-dione
CID 23170957
(8aS)-2-methyl-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-1-one
CID 59215769
(3S)-3-(azepan-1-yl)pyrrolidine-2,5-dione
CID 98139557
1,3,5,5-tetramethylpyrrolidin-2-one
CID 58984178
(5R)-5-hydroxy-2,3,5-trimethylcyclohex-2-ene-1,4-dione
CID 170009983
2-(azetidin-1-yl)cyclohexan-1-one;benzene
CID 156803276

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione?
The IUPAC name of 5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione (CID 54151225) is 5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione.
What is the SMILES notation for 5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione?
The canonical SMILES for 5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione is CC1(O)CC(N2CCC2)C(=O)C1=O.
What is the InChIKey of 5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione?
The InChIKey is OHWNQBNFIRTYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3/c1-9(13)5-6(7(11)8(9)12)10-3-2-4-10/h6,13H,2-5H2,1H3.
What are the key properties of 5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione?
5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione has a molecular weight of 183.21 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)-3-hydroxy-3-methylcyclopentane-1,2-dione is sourced from PubChem (CID 54151225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).