(1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline

C10H11N — CID 135278031

IUPAC(1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline
SMILESc1ccc2c(c1)CN[C@@H]1CC21
InChIInChI=1S/C10H11N/c1-2-4-8-7(3-1)6-11-10-5-9(8)10/h1-4,9-11H,5-6H2/t9?,10-/m1/s1
InChIKeyGHZLGILXEROWGJ-QVDQXJPCSA-N
MW145.21 g/mol
LogP1.65
Rot. Bonds

About (1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline

(1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline (PubChem CID 135278031) has the molecular formula C10H11N and a molecular weight of 145.21 g/mol. Its IUPAC name is (1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline.

Molecular Properties

Compound Name(1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline
PubChem CID135278031
Molecular FormulaC10H11N
Molecular Weight145.21 g/mol
Exact Mass145.09
IUPAC Name(1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline
SMILESc1ccc2c(c1)CN[C@@H]1CC21
InChIInChI=1S/C10H11N/c1-2-4-8-7(3-1)6-11-10-5-9(8)10/h1-4,9-11H,5-6H2/t9?,10-/m1/s1
InChIKeyGHZLGILXEROWGJ-QVDQXJPCSA-N
XLogP1.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.21
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,2a,3,4,8b-hexahydrocyclobuta[c]isoquinoline
CID 154316828
1-[(1S)-2,3-dihydro-1H-isoindol-1-yl]-2,3-dihydro-1H-isoindole
CID 134966624
(1S)-1-fluoro-2,3-dihydro-1H-isoindole
CID 97110854
(4bR,10bR)-4b,5,6,10b,11,12-hexahydroisoquinolino[4,3-c]quinoline
CID 15939421
(1R)-1-propan-2-yl-2,3-dihydro-1H-isoindole
CID 158376445
(1R)-1-tert-butyl-2,3-dihydro-1H-isoindole
CID 139332278
tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaene
CID 18362646
1-ethynyl-2,3-dihydro-1H-isoindole
CID 137352991
1-ethenyl-2,3-dihydro-1H-isoindole
CID 89142586
(2aS,8bR)-2a,3,4,8b-tetrahydro-1H-azeto[3,2-c]isoquinolin-2-one
CID 139094638
1,2,3,3a,4,5,6,10b-octahydropyrrolo[3,4-d][2]benzazepine
CID 66819083
1-(2,3-difluoro-4-methylphenyl)-2,3-dihydro-1H-isoindole
CID 107514282

Frequently Asked Questions

What is the IUPAC name of (1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline?
The IUPAC name of (1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline (CID 135278031) is (1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline.
What is the SMILES notation for (1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline?
The canonical SMILES for (1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline is c1ccc2c(c1)CN[C@@H]1CC21.
What is the InChIKey of (1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline?
The InChIKey is GHZLGILXEROWGJ-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H11N/c1-2-4-8-7(3-1)6-11-10-5-9(8)10/h1-4,9-11H,5-6H2/t9?,10-/m1/s1.
What are the key properties of (1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline?
(1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline has a molecular weight of 145.21 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR)-1a,2,3,7b-tetrahydro-1H-cyclopropa[c]isoquinoline is sourced from PubChem (CID 135278031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).