(3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one

C11H13NO2 — CID 139090362

IUPAC(3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one
SMILESCN1CC2=C(CC[C@H]3COC=C23)C1=O
InChIInChI=1S/C11H13NO2/c1-12-4-9-8(11(12)13)3-2-7-5-14-6-10(7)9/h6-7H,2-5H2,1H3/t7-/m0/s1
InChIKeyPFDGRUBPBGNCNR-ZETCQYMHSA-N
MW191.23 g/mol
LogP1.08
Rot. Bonds

About (3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one

(3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one (PubChem CID 139090362) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is (3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one.

Molecular Properties

Compound Name(3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one
PubChem CID139090362
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name(3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one
SMILESCN1CC2=C(CC[C@H]3COC=C23)C1=O
InChIInChI=1S/C11H13NO2/c1-12-4-9-8(11(12)13)3-2-7-5-14-6-10(7)9/h6-7H,2-5H2,1H3/t7-/m0/s1
InChIKeyPFDGRUBPBGNCNR-ZETCQYMHSA-N
XLogP1.08
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one?
The IUPAC name of (3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one (CID 139090362) is (3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one.
What is the SMILES notation for (3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one?
The canonical SMILES for (3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one is CN1CC2=C(CC[C@H]3COC=C23)C1=O.
What is the InChIKey of (3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one?
The InChIKey is PFDGRUBPBGNCNR-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-4-9-8(11(12)13)3-2-7-5-14-6-10(7)9/h6-7H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of (3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one?
(3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one has a molecular weight of 191.23 g/mol, XLogP of 1.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-7-methyl-3a,4,5,8-tetrahydro-3H-furo[3,4-e]isoindol-6-one is sourced from PubChem (CID 139090362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).