5-methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole

C15H18N2 — CID 134195787

IUPAC5-methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole
SMILESCN1C2=C(C=CCC2)C2C3=CCCC=C3CN21
InChIInChI=1S/C15H18N2/c1-16-14-9-5-4-8-13(14)15-12-7-3-2-6-11(12)10-17(15)16/h4,6-8,15H,2-3,5,9-10H2,1H3
InChIKeyIMEHUXYSFYCILP-UHFFFAOYSA-N
MW226.32 g/mol
LogP2.78
Rot. Bonds

About 5-methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole

5-methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole (PubChem CID 134195787) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole.

Molecular Properties

Compound Name5-methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole
PubChem CID134195787
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name5-methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole
SMILESCN1C2=C(C=CCC2)C2C3=CCCC=C3CN21
InChIInChI=1S/C15H18N2/c1-16-14-9-5-4-8-13(14)15-12-7-3-2-6-11(12)10-17(15)16/h4,6-8,15H,2-3,5,9-10H2,1H3
InChIKeyIMEHUXYSFYCILP-UHFFFAOYSA-N
XLogP2.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole?
The IUPAC name of 5-methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole (CID 134195787) is 5-methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole.
What is the SMILES notation for 5-methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole?
The canonical SMILES for 5-methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole is CN1C2=C(C=CCC2)C2C3=CCCC=C3CN21.
What is the InChIKey of 5-methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole?
The InChIKey is IMEHUXYSFYCILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-16-14-9-5-4-8-13(14)15-12-7-3-2-6-11(12)10-17(15)16/h4,6-8,15H,2-3,5,9-10H2,1H3.
What are the key properties of 5-methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole?
5-methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole has a molecular weight of 226.32 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4,7,9,10,11b-hexahydroisoindolo[2,1-b]indazole is sourced from PubChem (CID 134195787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).