4,7-dimethyl-5,6-dihydro-2H-4,7-epoxyisoindole-1,3-diol

C10H13NO3 — CID 91137519

IUPAC4,7-dimethyl-5,6-dihydro-2H-4,7-epoxyisoindole-1,3-diol
SMILESCC12CCC(C)(O1)c1c(O)[nH]c(O)c12
InChIInChI=1S/C10H13NO3/c1-9-3-4-10(2,14-9)6-5(9)7(12)11-8(6)13/h11-13H,3-4H2,1-2H3
InChIKeyHPQSMCLDEWAPGN-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.68
Rot. Bonds

About 4,7-dimethyl-5,6-dihydro-2H-4,7-epoxyisoindole-1,3-diol

4,7-dimethyl-5,6-dihydro-2H-4,7-epoxyisoindole-1,3-diol (PubChem CID 91137519) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 4,7-dimethyl-5,6-dihydro-2H-4,7-epoxyisoindole-1,3-diol.

Molecular Properties

Compound Name4,7-dimethyl-5,6-dihydro-2H-4,7-epoxyisoindole-1,3-diol
PubChem CID91137519
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name4,7-dimethyl-5,6-dihydro-2H-4,7-epoxyisoindole-1,3-diol
SMILESCC12CCC(C)(O1)c1c(O)[nH]c(O)c12
InChIInChI=1S/C10H13NO3/c1-9-3-4-10(2,14-9)6-5(9)7(12)11-8(6)13/h11-13H,3-4H2,1-2H3
InChIKeyHPQSMCLDEWAPGN-UHFFFAOYSA-N
XLogP1.68
TPSA65.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-5,6-dihydro-2H-4,7-epoxyisoindole-1,3-diol?
The IUPAC name of 4,7-dimethyl-5,6-dihydro-2H-4,7-epoxyisoindole-1,3-diol (CID 91137519) is 4,7-dimethyl-5,6-dihydro-2H-4,7-epoxyisoindole-1,3-diol.
What is the SMILES notation for 4,7-dimethyl-5,6-dihydro-2H-4,7-epoxyisoindole-1,3-diol?
The canonical SMILES for 4,7-dimethyl-5,6-dihydro-2H-4,7-epoxyisoindole-1,3-diol is CC12CCC(C)(O1)c1c(O)[nH]c(O)c12.
What is the InChIKey of 4,7-dimethyl-5,6-dihydro-2H-4,7-epoxyisoindole-1,3-diol?
The InChIKey is HPQSMCLDEWAPGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-9-3-4-10(2,14-9)6-5(9)7(12)11-8(6)13/h11-13H,3-4H2,1-2H3.
What are the key properties of 4,7-dimethyl-5,6-dihydro-2H-4,7-epoxyisoindole-1,3-diol?
4,7-dimethyl-5,6-dihydro-2H-4,7-epoxyisoindole-1,3-diol has a molecular weight of 195.22 g/mol, XLogP of 1.68, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-5,6-dihydro-2H-4,7-epoxyisoindole-1,3-diol is sourced from PubChem (CID 91137519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).