2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline

C11H16N2 — CID 20554697

IUPAC2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline
SMILESC1=NCC2C=C3NCCCC3CC12
InChIInChI=1S/C11H16N2/c1-2-8-4-9-6-12-7-10(9)5-11(8)13-3-1/h5-6,8-10,13H,1-4,7H2
InChIKeyVBZRUVSADJUTLP-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.59
Rot. Bonds

About 2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline

2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline (PubChem CID 20554697) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline.

Molecular Properties

Compound Name2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline
PubChem CID20554697
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline
SMILESC1=NCC2C=C3NCCCC3CC12
InChIInChI=1S/C11H16N2/c1-2-8-4-9-6-12-7-10(9)5-11(8)13-3-1/h5-6,8-10,13H,1-4,7H2
InChIKeyVBZRUVSADJUTLP-UHFFFAOYSA-N
XLogP1.59
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline?
The IUPAC name of 2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline (CID 20554697) is 2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline.
What is the SMILES notation for 2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline?
The canonical SMILES for 2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline is C1=NCC2C=C3NCCCC3CC12.
What is the InChIKey of 2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline?
The InChIKey is VBZRUVSADJUTLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-8-4-9-6-12-7-10(9)5-11(8)13-3-1/h5-6,8-10,13H,1-4,7H2.
What are the key properties of 2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline?
2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline has a molecular weight of 176.26 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline is sourced from PubChem (CID 20554697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).