1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole

C11H19N — CID 144585232

IUPAC1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
SMILESC1CCC2C(C1)CNC2C1CC1
InChIInChI=1S/C11H19N/c1-2-4-10-9(3-1)7-12-11(10)8-5-6-8/h8-12H,1-7H2
InChIKeyLLRCASKMHCQXBM-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.17
Rot. Bonds1

About 1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole

1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole (PubChem CID 144585232) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole.

Molecular Properties

Compound Name1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
PubChem CID144585232
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
SMILESC1CCC2C(C1)CNC2C1CC1
InChIInChI=1S/C11H19N/c1-2-4-10-9(3-1)7-12-11(10)8-5-6-8/h8-12H,1-7H2
InChIKeyLLRCASKMHCQXBM-UHFFFAOYSA-N
XLogP2.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-cyclohexylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole
CID 130349241
2-cyclobutyl-3-cyclopropylazetidine
CID 131197284
16-cycloundecyl-2-azabicyclo[7.7.0]hexadecane
CID 137397804
18-[5-(2-azabicyclo[8.7.0]heptadecan-17-yl)cyclooctyl]-2-azabicyclo[8.8.0]octadecane
CID 137398080
(3R,3aS,6aS)-3-cyclopentyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 129497157
3-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)oxan-4-ol
CID 102894030
3-cyclopropyl-5-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 121205235
(1R,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole-1-carboxylic acid
CID 45082692
2,3,3a,4,5,6,7,8,9,9a-decahydro-1H-cycloocta[c]pyrrole-3-carboxylic acid
CID 163706670
1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methane
CID 159429380
[(1R,3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-1-yl]phosphonic acid;hydrobromide
CID 56849679
(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonitrile
CID 55300736

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole?
The IUPAC name of 1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole (CID 144585232) is 1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole.
What is the SMILES notation for 1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole?
The canonical SMILES for 1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole is C1CCC2C(C1)CNC2C1CC1.
What is the InChIKey of 1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole?
The InChIKey is LLRCASKMHCQXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-2-4-10-9(3-1)7-12-11(10)8-5-6-8/h8-12H,1-7H2.
What are the key properties of 1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole?
1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole has a molecular weight of 165.28 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindole is sourced from PubChem (CID 144585232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).