ethane;1,2,3-trimethyl-2,3-dihydroindole

C13H21N — CID 91500184

IUPACethane;1,2,3-trimethyl-2,3-dihydroindole
SMILESCC.CC1c2ccccc2N(C)C1C
InChIInChI=1S/C11H15N.C2H6/c1-8-9(2)12(3)11-7-5-4-6-10(8)11;1-2/h4-9H,1-3H3;1-2H3
InChIKeyVZGGPBNGBLZXJQ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.65
Rot. Bonds

About ethane;1,2,3-trimethyl-2,3-dihydroindole

ethane;1,2,3-trimethyl-2,3-dihydroindole (PubChem CID 91500184) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is ethane;1,2,3-trimethyl-2,3-dihydroindole.

Molecular Properties

Compound Nameethane;1,2,3-trimethyl-2,3-dihydroindole
PubChem CID91500184
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Nameethane;1,2,3-trimethyl-2,3-dihydroindole
SMILESCC.CC1c2ccccc2N(C)C1C
InChIInChI=1S/C11H15N.C2H6/c1-8-9(2)12(3)11-7-5-4-6-10(8)11;1-2/h4-9H,1-3H3;1-2H3
InChIKeyVZGGPBNGBLZXJQ-UHFFFAOYSA-N
XLogP3.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-2-ethyl-1,3-dimethyl-2,3-dihydroindole
CID 71387028
2,3-dimethyl-1-propyl-2,3-dihydroindole
CID 161026697
1-[(2S,3S)-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
CID 101425318
(2R,3R)-1,3-dimethyl-2-pentyl-2,3-dihydroindole
CID 163690232
7,8-dimethylbicyclo[4.2.0]octa-1,3,5-triene;ethane
CID 159809006
(2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole
CID 92533105
1-(2,3-dichlorophenyl)-2,3-dimethyl-2,3-dihydroindole
CID 162507701
2,3,4-trimethyl-3,4-dihydro-1H-isoquinolin-1-ol
CID 21053894
(5R)-12-methyl-12-azatetracyclo[11.4.0.02,5.06,11]heptadeca-1(17),6,8,10,13,15-hexaene
CID 144534632
10-methyl-9-(10-methyl-9H-acridin-9-yl)-9H-acridine
CID 11079635
ethane;2,3,4,5-tetramethyl-4,5-dihydro-3H-2-benzazepin-1-one
CID 91409166
(10R)-8,9,11-trimethyl-1,11,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2,4,6,12(17),13,15-hexaene
CID 166931997

Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3-trimethyl-2,3-dihydroindole?
The IUPAC name of ethane;1,2,3-trimethyl-2,3-dihydroindole (CID 91500184) is ethane;1,2,3-trimethyl-2,3-dihydroindole.
What is the SMILES notation for ethane;1,2,3-trimethyl-2,3-dihydroindole?
The canonical SMILES for ethane;1,2,3-trimethyl-2,3-dihydroindole is CC.CC1c2ccccc2N(C)C1C.
What is the InChIKey of ethane;1,2,3-trimethyl-2,3-dihydroindole?
The InChIKey is VZGGPBNGBLZXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N.C2H6/c1-8-9(2)12(3)11-7-5-4-6-10(8)11;1-2/h4-9H,1-3H3;1-2H3.
What are the key properties of ethane;1,2,3-trimethyl-2,3-dihydroindole?
ethane;1,2,3-trimethyl-2,3-dihydroindole has a molecular weight of 191.32 g/mol, XLogP of 3.65, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3-trimethyl-2,3-dihydroindole is sourced from PubChem (CID 91500184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).