4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen

C15H18N2O3 — CID 166143335

IUPAC4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen
SMILESCc1ccc2c(c1)CN(C1CCC3OC3NC1=O)C2=O.[H][H]
InChIInChI=1S/C15H16N2O3.H2/c1-8-2-3-10-9(6-8)7-17(15(10)19)11-4-5-12-14(20-12)16-13(11)18;/h2-3,6,11-12,14H,4-5,7H2,1H3,(H,16,18);1H
InChIKeyRHYONBBWCWVQHT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.20
Rot. Bonds1

About 4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen

4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen (PubChem CID 166143335) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen.

Molecular Properties

Compound Name4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen
PubChem CID166143335
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen
SMILESCc1ccc2c(c1)CN(C1CCC3OC3NC1=O)C2=O.[H][H]
InChIInChI=1S/C15H16N2O3.H2/c1-8-2-3-10-9(6-8)7-17(15(10)19)11-4-5-12-14(20-12)16-13(11)18;/h2-3,6,11-12,14H,4-5,7H2,1H3,(H,16,18);1H
InChIKeyRHYONBBWCWVQHT-UHFFFAOYSA-N
XLogP1.20
TPSA61.94 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen with MolForge

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Related Compounds

5-methyl-2-(oxan-4-yl)-3H-isoindol-1-one
CID 145338818
2-[3-[[4-[1-oxo-2-(3-oxo-8-oxa-2-azabicyclo[5.1.0]octan-4-yl)-3H-isoindol-5-yl]piperidin-1-yl]methyl]phenyl]isoindole-1,3-dione
CID 163260188
ethane;5-methyl-2-(oxan-4-yl)-3H-isoindol-1-one
CID 145338817
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
N-cyclohexyl-1-oxothian-4-amine;ethane;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 169190900
ethane;N-[(1-methylcyclopropyl)methyl]cyclohexanamine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 169190823
5-ethyl-2-[6-(2-hydroxyethynyl)-2-oxopiperidin-3-yl]-3H-isoindol-1-one
CID 170313540
2,5-dimethylisoindole-1,3-dione;2,5-dimethyl-3H-isoindol-1-one
CID 142859605
N-cyclohexyl-2,2-difluorospiro[3.3]heptan-6-amine;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 169190956
1-(cyclohexylamino)-4,4-difluorocyclohexan-1-ol;3-(6-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 169190639
CID 169190903
CID 169190903
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]-4-methylbenzenesulfonamide
CID 164938673

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen?
The IUPAC name of 4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen (CID 166143335) is 4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen.
What is the SMILES notation for 4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen?
The canonical SMILES for 4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen is Cc1ccc2c(c1)CN(C1CCC3OC3NC1=O)C2=O.[H][H].
What is the InChIKey of 4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen?
The InChIKey is RHYONBBWCWVQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3.H2/c1-8-2-3-10-9(6-8)7-17(15(10)19)11-4-5-12-14(20-12)16-13(11)18;/h2-3,6,11-12,14H,4-5,7H2,1H3,(H,16,18);1H.
What are the key properties of 4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen?
4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen has a molecular weight of 274.32 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-3-oxo-1H-isoindol-2-yl)-8-oxa-2-azabicyclo[5.1.0]octan-3-one;molecular hydrogen is sourced from PubChem (CID 166143335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).