6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one

C11H18N2O2 — CID 134531860

IUPAC6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one
SMILESCC(C)C1Cn2c(noc2=O)C1C(C)C
InChIInChI=1S/C11H18N2O2/c1-6(2)8-5-13-10(9(8)7(3)4)12-15-11(13)14/h6-9H,5H2,1-4H3
InChIKeyCLTSCLGDRIMROD-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.86
Rot. Bonds2

About 6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one

6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one (PubChem CID 134531860) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one.

Molecular Properties

Compound Name6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one
PubChem CID134531860
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one
SMILESCC(C)C1Cn2c(noc2=O)C1C(C)C
InChIInChI=1S/C11H18N2O2/c1-6(2)8-5-13-10(9(8)7(3)4)12-15-11(13)14/h6-9H,5H2,1-4H3
InChIKeyCLTSCLGDRIMROD-UHFFFAOYSA-N
XLogP1.86
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one?
The IUPAC name of 6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one (CID 134531860) is 6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one.
What is the SMILES notation for 6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one?
The canonical SMILES for 6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one is CC(C)C1Cn2c(noc2=O)C1C(C)C.
What is the InChIKey of 6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one?
The InChIKey is CLTSCLGDRIMROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-6(2)8-5-13-10(9(8)7(3)4)12-15-11(13)14/h6-9H,5H2,1-4H3.
What are the key properties of 6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one?
6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one has a molecular weight of 210.28 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-di(propan-2-yl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]oxadiazol-3-one is sourced from PubChem (CID 134531860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).