4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline

C11H16N2 — CID 57288185

IUPAC4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline
SMILESC1=NC2=CC3CNCC3CC2CC1
InChIInChI=1S/C11H16N2/c1-2-8-4-9-6-12-7-10(9)5-11(8)13-3-1/h3,5,8-10,12H,1-2,4,6-7H2
InChIKeyDXBQVKSHNYCVSQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.59
Rot. Bonds

About 4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline

4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline (PubChem CID 57288185) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline.

Molecular Properties

Compound Name4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline
PubChem CID57288185
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline
SMILESC1=NC2=CC3CNCC3CC2CC1
InChIInChI=1S/C11H16N2/c1-2-8-4-9-6-12-7-10(9)5-11(8)13-3-1/h3,5,8-10,12H,1-2,4,6-7H2
InChIKeyDXBQVKSHNYCVSQ-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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Related Compounds

Hexahydro-1h-pyrrolo[2,3-g]isoquinoline
CID 167713504
5,5a,8,9,9a,9b-hexahydro-4aH-pyrido[4,3-b]indole
CID 18788968
4b,5,9,9a-tetrahydro-4aH-pyrido[3,4-b]indole
CID 19434437
15-Methyl-2,8-diazatetracyclo[8.5.1.03,14.05,12]hexadeca-3,5(12),7-triene
CID 19879776
2,3,4,4a,5,5a,8,8a-octahydro-1H-pyrrolo[3,4-g]quinoline
CID 20554697
5,5a,5b,6,7,9a,10,10a-Octahydroazepino[3,4-b]indole
CID 23072053
(4aR,9bR)-4,4a,5,5a,8,9,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 54422277
4,4a,5,5a,8,9,9a,9b-octahydro-1H-pyrido[4,3-b]indole
CID 54422278
1,5a,6,6a,9,10,10a,10b-Octahydroazepino[4,5-b]indole
CID 54533107
(5aS,8aR)-5-propyl-4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline
CID 56977788
5,5a,6,6a,9,10,10a,10b-Octahydroazepino[4,3-b]indole
CID 66873477
4b,5,6,8a,9,9a-hexahydro-4aH-pyrido[3,4-b]indole
CID 67697438

Frequently Asked Questions

What is the IUPAC name of 4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline?
The IUPAC name of 4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline (CID 57288185) is 4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline.
What is the SMILES notation for 4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline?
The canonical SMILES for 4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline is C1=NC2=CC3CNCC3CC2CC1.
What is the InChIKey of 4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline?
The InChIKey is DXBQVKSHNYCVSQ-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/h3,5,8-10,12H,1-2,4,6-7H2.
What are the key properties of 4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline?
4,4a,5,5a,6,7,8,8a-octahydro-3H-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 4,4a,5,5a,6,7,8,8a-octahydro-3H-pyrrolo[3,4-g]quinoline is sourced from PubChem (CID 57288185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).