1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline

C12H21N — CID 56997162

IUPAC1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline
SMILESC1CCC2C(C1)CCN1CCCC21
InChIInChI=1S/C12H21N/c1-2-5-11-10(4-1)7-9-13-8-3-6-12(11)13/h10-12H,1-9H2
InChIKeyKOIHLLDPQGEYIP-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.66
Rot. Bonds

About 1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline

1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline (PubChem CID 56997162) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline
PubChem CID56997162
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline
SMILESC1CCC2C(C1)CCN1CCCC21
InChIInChI=1S/C12H21N/c1-2-5-11-10(4-1)7-9-13-8-3-6-12(11)13/h10-12H,1-9H2
InChIKeyKOIHLLDPQGEYIP-UHFFFAOYSA-N
XLogP2.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline with MolForge

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Related Compounds

(1R,9R)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadecane
CID 134844763
1-pyrrolidin-3-yl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 82856132
1-(2-cyclopropylcyclohexyl)pyrrolidin-3-one
CID 164644952
(3R)-1-(2-cyclopropylcyclopentyl)pyrrolidin-3-amine;hydrochloride
CID 130701707
(1R,2S,5R,9R)-2-pyrrolidin-1-ylbicyclo[3.3.1]nonan-9-ol
CID 13378917
4-pyrrolidin-1-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 146675751
1-azatricyclo[5.4.1.04,12]dodecane
CID 45098480
(1R)-1-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 16637720
5-cyclohexyl-2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-benzo[7]annulene
CID 59124996
1,2-dicyclohexyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 10379489
1,3,3a,4,5,7,8,9,9a,9b-decahydropyrrolo[3,2-g]indolizin-2-one
CID 105438896
6-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678711

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline?
The IUPAC name of 1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline (CID 56997162) is 1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline.
What is the SMILES notation for 1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline?
The canonical SMILES for 1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline is C1CCC2C(C1)CCN1CCCC21.
What is the InChIKey of 1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline?
The InChIKey is KOIHLLDPQGEYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-2-5-11-10(4-1)7-9-13-8-3-6-12(11)13/h10-12H,1-9H2.
What are the key properties of 1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline?
1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline has a molecular weight of 179.31 g/mol, XLogP of 2.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,6a,7,8,9,10,10a,10b-dodecahydropyrrolo[2,1-a]isoquinoline is sourced from PubChem (CID 56997162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).