5-methyl-3,4,4a,5,7,8,8a,9-octahydro-2H-pyrrolo[3,4-g]quinoline

C12H18N2 — CID 70585731

IUPAC5-methyl-3,4,4a,5,7,8,8a,9-octahydro-2H-pyrrolo[3,4-g]quinoline
SMILESCC1C2=CNCC2CC2=NCCCC21
InChIInChI=1S/C12H18N2/c1-8-10-3-2-4-14-12(10)5-9-6-13-7-11(8)9/h7-10,13H,2-6H2,1H3
InChIKeyWNBGKMVBQYYSNY-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.98
Rot. Bonds

About 5-methyl-3,4,4a,5,7,8,8a,9-octahydro-2H-pyrrolo[3,4-g]quinoline

5-methyl-3,4,4a,5,7,8,8a,9-octahydro-2H-pyrrolo[3,4-g]quinoline (PubChem CID 70585731) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-methyl-3,4,4a,5,7,8,8a,9-octahydro-2H-pyrrolo[3,4-g]quinoline.

Molecular Properties

Compound Name5-methyl-3,4,4a,5,7,8,8a,9-octahydro-2H-pyrrolo[3,4-g]quinoline
PubChem CID70585731
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-methyl-3,4,4a,5,7,8,8a,9-octahydro-2H-pyrrolo[3,4-g]quinoline
SMILESCC1C2=CNCC2CC2=NCCCC21
InChIInChI=1S/C12H18N2/c1-8-10-3-2-4-14-12(10)5-9-6-13-7-11(8)9/h7-10,13H,2-6H2,1H3
InChIKeyWNBGKMVBQYYSNY-UHFFFAOYSA-N
XLogP1.98
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,4,4a,5,7,8,8a,9-octahydro-2H-pyrrolo[3,4-g]quinoline?
The IUPAC name of 5-methyl-3,4,4a,5,7,8,8a,9-octahydro-2H-pyrrolo[3,4-g]quinoline (CID 70585731) is 5-methyl-3,4,4a,5,7,8,8a,9-octahydro-2H-pyrrolo[3,4-g]quinoline.
What is the SMILES notation for 5-methyl-3,4,4a,5,7,8,8a,9-octahydro-2H-pyrrolo[3,4-g]quinoline?
The canonical SMILES for 5-methyl-3,4,4a,5,7,8,8a,9-octahydro-2H-pyrrolo[3,4-g]quinoline is CC1C2=CNCC2CC2=NCCCC21.
What is the InChIKey of 5-methyl-3,4,4a,5,7,8,8a,9-octahydro-2H-pyrrolo[3,4-g]quinoline?
The InChIKey is WNBGKMVBQYYSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-8-10-3-2-4-14-12(10)5-9-6-13-7-11(8)9/h7-10,13H,2-6H2,1H3.
What are the key properties of 5-methyl-3,4,4a,5,7,8,8a,9-octahydro-2H-pyrrolo[3,4-g]quinoline?
5-methyl-3,4,4a,5,7,8,8a,9-octahydro-2H-pyrrolo[3,4-g]quinoline has a molecular weight of 190.29 g/mol, XLogP of 1.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,4,4a,5,7,8,8a,9-octahydro-2H-pyrrolo[3,4-g]quinoline is sourced from PubChem (CID 70585731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).