2,3,3,4-tetramethyl-4,5-dihydroindole

C12H17N — CID 123861407

IUPAC2,3,3,4-tetramethyl-4,5-dihydroindole
SMILESCC1=NC2=C(C(C)CC=C2)C1(C)C
InChIInChI=1S/C12H17N/c1-8-6-5-7-10-11(8)12(3,4)9(2)13-10/h5,7-8H,6H2,1-4H3
InChIKeyCEVNOJNIENDUHU-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.34
Rot. Bonds

About 2,3,3,4-tetramethyl-4,5-dihydroindole

2,3,3,4-tetramethyl-4,5-dihydroindole (PubChem CID 123861407) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 2,3,3,4-tetramethyl-4,5-dihydroindole.

Molecular Properties

Compound Name2,3,3,4-tetramethyl-4,5-dihydroindole
PubChem CID123861407
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name2,3,3,4-tetramethyl-4,5-dihydroindole
SMILESCC1=NC2=C(C(C)CC=C2)C1(C)C
InChIInChI=1S/C12H17N/c1-8-6-5-7-10-11(8)12(3,4)9(2)13-10/h5,7-8H,6H2,1-4H3
InChIKeyCEVNOJNIENDUHU-UHFFFAOYSA-N
XLogP3.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Spiro[carbazole-2,1'-cyclohexane]
CID 21886814
potassium 2,3,3-trimethyl-5H-indol-5-ide
CID 58220092
sodium 2,3,3-trimethyl-5H-indol-5-ide
CID 58567027
2-methyl-4,5-dihydro-3H-indole
CID 59759818
2-[1-(4-Cyclopenta-1,4-dien-1-ylcyclohexa-1,4-dien-1-yl)-2-methylpropan-2-yl]-5-methyl-3,4-dihydropyrrol-4-ide;ruthenium(1+)
CID 60056098
3-cyclohexyl-2-methyl-6H-indole
CID 69721405
3-cyclopentyl-2-methyl-6H-indole
CID 69721720
2-(4-Prop-2-enyloct-1-en-4-yl)cyclopenta[b]pyrrole
CID 70231593
2-Methylidene-4-pentyl-4,5,6,7-tetrahydroindole
CID 70432920
12,12-Dimethyl-10,12-dihydroindeno[2,1-b]carbazole
CID 86685012
1,1,2-Trimethyl-5,5a-dihydrobenzo[e]indole
CID 88892345
2,3,3-Trimethyl-6,7-dihydroindole
CID 89133198

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4-tetramethyl-4,5-dihydroindole?
The IUPAC name of 2,3,3,4-tetramethyl-4,5-dihydroindole (CID 123861407) is 2,3,3,4-tetramethyl-4,5-dihydroindole.
What is the SMILES notation for 2,3,3,4-tetramethyl-4,5-dihydroindole?
The canonical SMILES for 2,3,3,4-tetramethyl-4,5-dihydroindole is CC1=NC2=C(C(C)CC=C2)C1(C)C.
What is the InChIKey of 2,3,3,4-tetramethyl-4,5-dihydroindole?
The InChIKey is CEVNOJNIENDUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-8-6-5-7-10-11(8)12(3,4)9(2)13-10/h5,7-8H,6H2,1-4H3.
What are the key properties of 2,3,3,4-tetramethyl-4,5-dihydroindole?
2,3,3,4-tetramethyl-4,5-dihydroindole has a molecular weight of 175.28 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4-tetramethyl-4,5-dihydroindole is sourced from PubChem (CID 123861407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).