[(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium

C12H19N2+ — CID 6955168

IUPAC[(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium
SMILES[NH3+]C1=C2CCCN2C2=CCCC[C@H]2C1
InChIInChI=1S/C12H18N2/c13-10-8-9-4-1-2-5-11(9)14-7-3-6-12(10)14/h5,9H,1-4,6-8,13H2/p+1/t9-/m0/s1
InChIKeyDPQDLCKFIKDXLC-VIFPVBQESA-O
MW191.30 g/mol
LogP1.62
Rot. Bonds

About [(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium

[(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium (PubChem CID 6955168) has the molecular formula C12H19N2+ and a molecular weight of 191.30 g/mol. Its IUPAC name is [(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium.

Molecular Properties

Compound Name[(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium
PubChem CID6955168
Molecular FormulaC12H19N2+
Molecular Weight191.30 g/mol
Exact Mass191.15
IUPAC Name[(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium
SMILES[NH3+]C1=C2CCCN2C2=CCCC[C@H]2C1
InChIInChI=1S/C12H18N2/c13-10-8-9-4-1-2-5-11(9)14-7-3-6-12(10)14/h5,9H,1-4,6-8,13H2/p+1/t9-/m0/s1
InChIKeyDPQDLCKFIKDXLC-VIFPVBQESA-O
XLogP1.62
TPSA30.88 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium with MolForge

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Related Compounds

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CID 154199633
1-cyclobutylcyclobutene
CID 556361
1,2-bis(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)ethane-1,2-dione
CID 66794672
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-2-chloroethanone
CID 66794369
1-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)ethanone
CID 68573045
1-(6-ethylcyclohexen-1-yl)pyrrolidine
CID 102116981
1-[(1S)-2-piperidin-1-ylcyclohex-2-en-1-yl]piperidine
CID 135086295
1-benzyl-3a,4,5,6-tetrahydro-3H-indol-2-one
CID 101011674
2-methyl-2,3,3a,4,5,6-hexahydro-1H-indene
CID 145030144
(1E)-1-cyclohexylcyclododecene
CID 139760943
(1E)-1-cyclohexylcyclodecene
CID 139760930
1-(6-chlorocyclohexen-1-yl)piperidine
CID 12512496

Frequently Asked Questions

What is the IUPAC name of [(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium?
The IUPAC name of [(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium (CID 6955168) is [(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium.
What is the SMILES notation for [(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium?
The canonical SMILES for [(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium is [NH3+]C1=C2CCCN2C2=CCCC[C@H]2C1.
What is the InChIKey of [(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium?
The InChIKey is DPQDLCKFIKDXLC-VIFPVBQESA-O. The full InChI is InChI=1S/C12H18N2/c13-10-8-9-4-1-2-5-11(9)14-7-3-6-12(10)14/h5,9H,1-4,6-8,13H2/p+1/t9-/m0/s1.
What are the key properties of [(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium?
[(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium has a molecular weight of 191.30 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(5aS)-1,2,3,5,5a,6,7,8-octahydropyrrolo[1,2-a]quinolin-4-yl]azanium is sourced from PubChem (CID 6955168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).