6-ethynyl-1-methyl-2,3-dihydroindole

C11H11N — CID 130132980

IUPAC6-ethynyl-1-methyl-2,3-dihydroindole
SMILESC#Cc1ccc2c(c1)N(C)CC2
InChIInChI=1S/C11H11N/c1-3-9-4-5-10-6-7-12(2)11(10)8-9/h1,4-5,8H,6-7H2,2H3
InChIKeySCDAIGPDSACDLJ-UHFFFAOYSA-N
MW157.22 g/mol
LogP1.66
Rot. Bonds

About 6-ethynyl-1-methyl-2,3-dihydroindole

6-ethynyl-1-methyl-2,3-dihydroindole (PubChem CID 130132980) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 6-ethynyl-1-methyl-2,3-dihydroindole.

Molecular Properties

Compound Name6-ethynyl-1-methyl-2,3-dihydroindole
PubChem CID130132980
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name6-ethynyl-1-methyl-2,3-dihydroindole
SMILESC#Cc1ccc2c(c1)N(C)CC2
InChIInChI=1S/C11H11N/c1-3-9-4-5-10-6-7-12(2)11(10)8-9/h1,4-5,8H,6-7H2,2H3
InChIKeySCDAIGPDSACDLJ-UHFFFAOYSA-N
XLogP1.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1,6-dimethyl-2,3-dihydroindole
CID 59833304
6-bromo-1-methyl-2,3-dihydroindole
CID 13098380
7-ethynyl-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 130133273
N,N,1-trimethyl-2,3-dihydroindole-6-carboxamide
CID 134369280
2-methyl-2-(1-methyl-2,3-dihydroindol-6-yl)propan-1-ol
CID 117294166
6-(1-isocyanatocyclopropyl)-1-methyl-2,3-dihydroindole
CID 117305666
1-methyl-8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3,4,5-tetrahydro-1-benzazepine
CID 154668194
7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 129259469
7-bromo-1-methyl-3,4-dihydro-2H-quinoline
CID 82618152
4,4,9-trimethyl-9-azatricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
CID 23382331
7-ethynyl-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 156754029
ethane;7-fluoro-1-methyl-3,4-dihydro-2H-quinoline
CID 145098323

Frequently Asked Questions

What is the IUPAC name of 6-ethynyl-1-methyl-2,3-dihydroindole?
The IUPAC name of 6-ethynyl-1-methyl-2,3-dihydroindole (CID 130132980) is 6-ethynyl-1-methyl-2,3-dihydroindole.
What is the SMILES notation for 6-ethynyl-1-methyl-2,3-dihydroindole?
The canonical SMILES for 6-ethynyl-1-methyl-2,3-dihydroindole is C#Cc1ccc2c(c1)N(C)CC2.
What is the InChIKey of 6-ethynyl-1-methyl-2,3-dihydroindole?
The InChIKey is SCDAIGPDSACDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-3-9-4-5-10-6-7-12(2)11(10)8-9/h1,4-5,8H,6-7H2,2H3.
What are the key properties of 6-ethynyl-1-methyl-2,3-dihydroindole?
6-ethynyl-1-methyl-2,3-dihydroindole has a molecular weight of 157.22 g/mol, XLogP of 1.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethynyl-1-methyl-2,3-dihydroindole is sourced from PubChem (CID 130132980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).