2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline

C11H16N2 — CID 67937887

IUPAC2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline
SMILESC1=C2C=C3NCCCC3CC2CN1
InChIInChI=1S/C11H16N2/c1-2-8-4-9-6-12-7-10(9)5-11(8)13-3-1/h5,7-9,12-13H,1-4,6H2
InChIKeyONMUJIXTPUOCQY-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.38
Rot. Bonds

About 2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline

2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline (PubChem CID 67937887) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline.

Molecular Properties

Compound Name2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline
PubChem CID67937887
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline
SMILESC1=C2C=C3NCCCC3CC2CN1
InChIInChI=1S/C11H16N2/c1-2-8-4-9-6-12-7-10(9)5-11(8)13-3-1/h5,7-9,12-13H,1-4,6H2
InChIKeyONMUJIXTPUOCQY-UHFFFAOYSA-N
XLogP1.38
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1,2,3,4,4a,5,5a,6-octahydrobenzo[g]quinolin-7-yl)acetic acid
CID 175552814
5,6,7,7a-tetrahydro-4H-furo[3,2-b]pyridin-2-one
CID 55286079
1,2,3,3a,4,5-hexahydropyrrolo[3,2-c]azepine-6,7-dione
CID 70108846
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
methyl 1,2,3,4,4a,5-hexahydroquinoline-6-carboxylate
CID 135144533
3-(3-chloro-5-iodophenyl)piperidine
CID 130001229
4-piperidin-3-ylpyridine;dihydrochloride
CID 91809614
2,3,3a,4-tetrahydro-1H-pyrrolo[3,2-g]quinoline
CID 141172733
2,3-dimethyl-4-piperidin-3-ylpyridine
CID 84662825
3-(1H-imidazol-2-yl)piperidine
CID 13281195
3-(1H-1,2,4-triazol-5-yl)piperidine
CID 57004215
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline?
The IUPAC name of 2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline (CID 67937887) is 2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline.
What is the SMILES notation for 2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline?
The canonical SMILES for 2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline is C1=C2C=C3NCCCC3CC2CN1.
What is the InChIKey of 2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline?
The InChIKey is ONMUJIXTPUOCQY-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/h5,7-9,12-13H,1-4,6H2.
What are the key properties of 2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline?
2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline has a molecular weight of 176.26 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4a,5,5a,6,7-octahydro-1H-pyrrolo[3,4-g]quinoline is sourced from PubChem (CID 67937887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).