2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole

C11H19N — CID 57050908

IUPAC2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole
SMILESC1CCC2C(C1)CC1CCCN12
InChIInChI=1S/C11H19N/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11/h9-11H,1-8H2
InChIKeyCOMQMLLANHXPTM-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.41
Rot. Bonds

About 2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole

2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole (PubChem CID 57050908) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole.

Molecular Properties

Compound Name2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole
PubChem CID57050908
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole
SMILESC1CCC2C(C1)CC1CCCN12
InChIInChI=1S/C11H19N/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11/h9-11H,1-8H2
InChIKeyCOMQMLLANHXPTM-UHFFFAOYSA-N
XLogP2.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]cyclohexan-1-ol
CID 102727888
3-(2-cyclopentylpyrrolidin-1-yl)cyclopentan-1-ol
CID 79644193
(4aS,8aR)-1-(1-methylpiperidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 100898605
4-(1-cyclopentylpyrrolidin-2-yl)piperidine
CID 66274294
3-(1-cyclohexylpyrrolidin-2-yl)piperidine
CID 66272789
1-(azepan-3-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65322343
3-cyclohexyl-1,2,3,5,6,7,8,8a-octahydroindolizine;hydrochloride
CID 23325361
(3aS,4aR,6R,8aS)-2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole-6-carboxylic acid
CID 97036329
1-(5-methylpiperidin-3-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 113296904
(1S,6R)-2-(azetidin-3-yl)-2-azabicyclo[4.1.0]heptane;hydrochloride
CID 130992359
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)cyclohexan-1-one
CID 114762248
7-methyl-6-azatricyclo[6.2.1.02,6]undecane
CID 45098495

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole?
The IUPAC name of 2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole (CID 57050908) is 2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole.
What is the SMILES notation for 2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole?
The canonical SMILES for 2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole is C1CCC2C(C1)CC1CCCN12.
What is the InChIKey of 2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole?
The InChIKey is COMQMLLANHXPTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-6-11-9(4-1)8-10-5-3-7-12(10)11/h9-11H,1-8H2.
What are the key properties of 2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole?
2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole has a molecular weight of 165.28 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,4a,5,6,7,8,8a-decahydro-1H-pyrrolo[1,2-a]indole is sourced from PubChem (CID 57050908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).