7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole

C17H21N — CID 97056669

IUPAC7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole
SMILESCC1=C(C)[C@@H](C)C(C)=C1c1cccc2c1NCC2
InChIInChI=1S/C17H21N/c1-10-11(2)13(4)16(12(10)3)15-7-5-6-14-8-9-18-17(14)15/h5-7,10,18H,8-9H2,1-4H3/t10-/m1/s1
InChIKeyCMCBWGQAUUXXKJ-SNVBAGLBSA-N
MW239.36 g/mol
LogP4.41
Rot. Bonds1

About 7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole

7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole (PubChem CID 97056669) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole
PubChem CID97056669
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole
SMILESCC1=C(C)[C@@H](C)C(C)=C1c1cccc2c1NCC2
InChIInChI=1S/C17H21N/c1-10-11(2)13(4)16(12(10)3)15-7-5-6-14-8-9-18-17(14)15/h5-7,10,18H,8-9H2,1-4H3/t10-/m1/s1
InChIKeyCMCBWGQAUUXXKJ-SNVBAGLBSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole with MolForge

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Related Compounds

7-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)-2,3-dihydro-1H-indole
CID 76846480
2-[6-[(2-methylpropan-2-yl)oxy]hexyl]-8-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)-1,2,3,4-tetrahydroquinoline
CID 101454980
5-(2,3-dihydro-1H-indol-7-yl)-6-ethylpyridin-2-amine;hydrochloride
CID 166059208
1-phenyl-2-(2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl)benzene
CID 141312079
7-(2-fluoro-3-methyl-4-pyridinyl)-2,3-dihydro-1H-indole
CID 166395171
4,5-dimethyl-2,3-dihydro-1H-3-benzazepine
CID 118587446
ethane;7-fluoro-2,3-dihydro-1H-indole
CID 171527172
(3R,4S)-6-(2,3-dihydro-1H-indol-7-yl)-5-fluoro-2,2,4,8-tetramethyl-3,4-dihydro-1H-quinolin-3-ol
CID 69467310
4-(2,3-dihydro-1H-indol-7-ylmethyl)-2,6-dimethylthiomorpholine
CID 113278018
7-[(3,5-dimethylpiperidin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277959
6,7-dimethyl-2,3-dihydro-1H-indole
CID 16792444
7-(3-cyclobutylimidazol-4-yl)-2,3-dihydro-1H-indole
CID 114720083

Frequently Asked Questions

What is the IUPAC name of 7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole?
The IUPAC name of 7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole (CID 97056669) is 7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole?
The canonical SMILES for 7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole is CC1=C(C)[C@@H](C)C(C)=C1c1cccc2c1NCC2.
What is the InChIKey of 7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole?
The InChIKey is CMCBWGQAUUXXKJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H21N/c1-10-11(2)13(4)16(12(10)3)15-7-5-6-14-8-9-18-17(14)15/h5-7,10,18H,8-9H2,1-4H3/t10-/m1/s1.
What are the key properties of 7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole?
7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole has a molecular weight of 239.36 g/mol, XLogP of 4.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3R)-2,3,4,5-tetramethylcyclopenta-1,4-dien-1-yl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 97056669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).