3-[1-(hydroxymethyl)cyclobutyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione

C11H15NO4 — CID 102690157

IUPAC3-[1-(hydroxymethyl)cyclobutyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESO=C1C2CCC(O2)C(=O)N1C1(CO)CCC1
InChIInChI=1S/C11H15NO4/c13-6-11(4-1-5-11)12-9(14)7-2-3-8(16-7)10(12)15/h7-8,13H,1-6H2
InChIKeyCNMDDSYRXLWCGE-UHFFFAOYSA-N
MW225.24 g/mol
LogP-0.18
Rot. Bonds2

About 3-[1-(hydroxymethyl)cyclobutyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione

3-[1-(hydroxymethyl)cyclobutyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione (PubChem CID 102690157) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-[1-(hydroxymethyl)cyclobutyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione.

Molecular Properties

Compound Name3-[1-(hydroxymethyl)cyclobutyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
PubChem CID102690157
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-[1-(hydroxymethyl)cyclobutyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
SMILESO=C1C2CCC(O2)C(=O)N1C1(CO)CCC1
InChIInChI=1S/C11H15NO4/c13-6-11(4-1-5-11)12-9(14)7-2-3-8(16-7)10(12)15/h7-8,13H,1-6H2
InChIKeyCNMDDSYRXLWCGE-UHFFFAOYSA-N
XLogP-0.18
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[1-(hydroxymethyl)cyclohexyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 62520018
2-[4-(hydroxymethyl)oxan-4-yl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 106299471
3-[1-(hydroxymethyl)cyclopropyl]-3-azabicyclo[3.2.1]octane-2,4-dione
CID 103552347
2-[1-(hydroxymethyl)-4-methylcyclohexyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 103980015
4-[1-(hydroxymethyl)cyclohexyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 62520549
1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione
CID 106299559
3-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 62525353
5-ethyl-2-[1-(hydroxymethyl)cyclopentyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513168
(3aR,7aS)-2-[1-(hydroxymethyl)cyclopropyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 104963199
2-[1-(hydroxymethyl)cyclopropyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114392860
3-(1-hydroxy-3-methylbutan-2-yl)-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione
CID 102690137
6-(2,4-dioxo-8-oxa-3-azabicyclo[3.2.1]octan-3-yl)hexanoic acid
CID 102689235

Frequently Asked Questions

What is the IUPAC name of 3-[1-(hydroxymethyl)cyclobutyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The IUPAC name of 3-[1-(hydroxymethyl)cyclobutyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione (CID 102690157) is 3-[1-(hydroxymethyl)cyclobutyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione.
What is the SMILES notation for 3-[1-(hydroxymethyl)cyclobutyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The canonical SMILES for 3-[1-(hydroxymethyl)cyclobutyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione is O=C1C2CCC(O2)C(=O)N1C1(CO)CCC1.
What is the InChIKey of 3-[1-(hydroxymethyl)cyclobutyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
The InChIKey is CNMDDSYRXLWCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-6-11(4-1-5-11)12-9(14)7-2-3-8(16-7)10(12)15/h7-8,13H,1-6H2.
What are the key properties of 3-[1-(hydroxymethyl)cyclobutyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione?
3-[1-(hydroxymethyl)cyclobutyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione has a molecular weight of 225.24 g/mol, XLogP of -0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(hydroxymethyl)cyclobutyl]-8-oxa-3-azabicyclo[3.2.1]octane-2,4-dione is sourced from PubChem (CID 102690157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).