1,2,3,3-tetramethyl-2H-indole

C12H17N — CID 594839

IUPAC1,2,3,3-tetramethyl-2H-indole
SMILESCC1N(C)c2ccccc2C1(C)C
InChIInChI=1S/C12H17N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-9H,1-4H3
InChIKeyYNMGRZLDRLHRTN-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.80
Rot. Bonds

About 1,2,3,3-tetramethyl-2H-indole

1,2,3,3-tetramethyl-2H-indole (PubChem CID 594839) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1,2,3,3-tetramethyl-2H-indole.

Molecular Properties

Compound Name1,2,3,3-tetramethyl-2H-indole
PubChem CID594839
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1,2,3,3-tetramethyl-2H-indole
SMILESCC1N(C)c2ccccc2C1(C)C
InChIInChI=1S/C12H17N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-9H,1-4H3
InChIKeyYNMGRZLDRLHRTN-UHFFFAOYSA-N
XLogP2.80
TPSA3.24 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 ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,3-tetramethyl-2H-indole?
The IUPAC name of 1,2,3,3-tetramethyl-2H-indole (CID 594839) is 1,2,3,3-tetramethyl-2H-indole.
What is the SMILES notation for 1,2,3,3-tetramethyl-2H-indole?
The canonical SMILES for 1,2,3,3-tetramethyl-2H-indole is CC1N(C)c2ccccc2C1(C)C.
What is the InChIKey of 1,2,3,3-tetramethyl-2H-indole?
The InChIKey is YNMGRZLDRLHRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-9H,1-4H3.
What are the key properties of 1,2,3,3-tetramethyl-2H-indole?
1,2,3,3-tetramethyl-2H-indole has a molecular weight of 175.28 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,3-tetramethyl-2H-indole is sourced from PubChem (CID 594839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).