1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole

C13H17N — CID 23382333

IUPAC1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole
SMILESCN1CCc2ccc3c(c21)CC3(C)C
InChIInChI=1S/C13H17N/c1-13(2)8-10-11(13)5-4-9-6-7-14(3)12(9)10/h4-5H,6-8H2,1-3H3
InChIKeyLAILBNXMKDHODC-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.51
Rot. Bonds

About 1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole

1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole (PubChem CID 23382333) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole.

Molecular Properties

Compound Name1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole
PubChem CID23382333
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole
SMILESCN1CCc2ccc3c(c21)CC3(C)C
InChIInChI=1S/C13H17N/c1-13(2)8-10-11(13)5-4-9-6-7-14(3)12(9)10/h4-5H,6-8H2,1-3H3
InChIKeyLAILBNXMKDHODC-UHFFFAOYSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;5,5,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene;3,6,6-trimethyl-2,7-dihydro-1H-cyclobuta[e]indole;3,7,7-trimethyl-2,6-dihydro-1H-cyclobuta[e]indole;1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole;1,7,7-trimethyl-3,6-dihydro-2H-cyclobuta[g]indole
CID 160582577
1-ethyl-6,6-dimethyl-2,3,7,8-tetrahydrocyclopenta[g]indole
CID 170039311
1-(1-methyl-2,3-dihydroindol-7-yl)cyclopropan-1-ol
CID 117281567
4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
CID 23382331
N,1-dimethyl-2,3-dihydroindol-7-amine
CID 22943239
1-methyl-7-piperazin-1-yl-2,3-dihydroindole
CID 82614660
2-methyl-3,4-dihydro-1H-isoquinoline-7,8-diamine
CID 10035152
3,5,5-trimethyl-2,4-dihydro-1H-3-benzazepine
CID 58529230
8-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(11),7,9-triene
CID 177102462
1,6-dimethyl-2,3-dihydroindole
CID 59833304
N,N,1-trimethyl-2,3-dihydroindole-6-carboxamide
CID 134369280
1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 21341307

Frequently Asked Questions

What is the IUPAC name of 1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole?
The IUPAC name of 1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole (CID 23382333) is 1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole.
What is the SMILES notation for 1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole?
The canonical SMILES for 1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole is CN1CCc2ccc3c(c21)CC3(C)C.
What is the InChIKey of 1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole?
The InChIKey is LAILBNXMKDHODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-13(2)8-10-11(13)5-4-9-6-7-14(3)12(9)10/h4-5H,6-8H2,1-3H3.
What are the key properties of 1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole?
1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole has a molecular weight of 187.29 g/mol, XLogP of 2.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,6-trimethyl-3,7-dihydro-2H-cyclobuta[g]indole is sourced from PubChem (CID 23382333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).