8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline

C12H15NO — CID 83376428

IUPAC8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline
SMILESCC1NCCc2cc3c(cc21)OCC3
InChIInChI=1S/C12H15NO/c1-8-11-7-12-10(3-5-14-12)6-9(11)2-4-13-8/h6-8,13H,2-5H2,1H3
InChIKeyLEKWKAKJSZPYFZ-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.83
Rot. Bonds

About 8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline

8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline (PubChem CID 83376428) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline.

Molecular Properties

Compound Name8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline
PubChem CID83376428
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline
SMILESCC1NCCc2cc3c(cc21)OCC3
InChIInChI=1S/C12H15NO/c1-8-11-7-12-10(3-5-14-12)6-9(11)2-4-13-8/h6-8,13H,2-5H2,1H3
InChIKeyLEKWKAKJSZPYFZ-UHFFFAOYSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline?
The IUPAC name of 8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline (CID 83376428) is 8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline.
What is the SMILES notation for 8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline?
The canonical SMILES for 8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline is CC1NCCc2cc3c(cc21)OCC3.
What is the InChIKey of 8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline?
The InChIKey is LEKWKAKJSZPYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-11-7-12-10(3-5-14-12)6-9(11)2-4-13-8/h6-8,13H,2-5H2,1H3.
What are the key properties of 8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline?
8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline has a molecular weight of 189.26 g/mol, XLogP of 1.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2,3,5,6,7,8-hexahydrofuro[3,2-g]isoquinoline is sourced from PubChem (CID 83376428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).