5-methyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[i]isoindole

C12H21N — CID 70331300

IUPAC5-methyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[i]isoindole
SMILESCC1NC2CCCC23CCCCC13
InChIInChI=1S/C12H21N/c1-9-10-5-2-3-7-12(10)8-4-6-11(12)13-9/h9-11,13H,2-8H2,1H3
InChIKeyGNAKHJYWPPYPRW-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.71
Rot. Bonds

About 5-methyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[i]isoindole

5-methyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[i]isoindole (PubChem CID 70331300) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 5-methyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[i]isoindole.

Molecular Properties

Compound Name5-methyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[i]isoindole
PubChem CID70331300
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name5-methyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[i]isoindole
SMILESCC1NC2CCCC23CCCCC13
InChIInChI=1S/C12H21N/c1-9-10-5-2-3-7-12(10)8-4-6-11(12)13-9/h9-11,13H,2-8H2,1H3
InChIKeyGNAKHJYWPPYPRW-UHFFFAOYSA-N
XLogP2.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[i]isoindole?
The IUPAC name of 5-methyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[i]isoindole (CID 70331300) is 5-methyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[i]isoindole.
What is the SMILES notation for 5-methyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[i]isoindole?
The canonical SMILES for 5-methyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[i]isoindole is CC1NC2CCCC23CCCCC13.
What is the InChIKey of 5-methyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[i]isoindole?
The InChIKey is GNAKHJYWPPYPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-9-10-5-2-3-7-12(10)8-4-6-11(12)13-9/h9-11,13H,2-8H2,1H3.
What are the key properties of 5-methyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[i]isoindole?
5-methyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[i]isoindole has a molecular weight of 179.31 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2,3,3a,4,5,5a,6,7,8,9-decahydro-1H-cyclopenta[i]isoindole is sourced from PubChem (CID 70331300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).