2,3,3-trimethyl-1H-indole-2-carboxamide

C12H16N2O — CID 169059074

IUPAC2,3,3-trimethyl-1H-indole-2-carboxamide
SMILESCC1(C(N)=O)Nc2ccccc2C1(C)C
InChIInChI=1S/C12H16N2O/c1-11(2)8-6-4-5-7-9(8)14-12(11,3)10(13)15/h4-7,14H,1-3H3,(H2,13,15)
InChIKeyNYLXDHVTPGBJJF-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.63
Rot. Bonds1

About 2,3,3-trimethyl-1H-indole-2-carboxamide

2,3,3-trimethyl-1H-indole-2-carboxamide (PubChem CID 169059074) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2,3,3-trimethyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name2,3,3-trimethyl-1H-indole-2-carboxamide
PubChem CID169059074
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2,3,3-trimethyl-1H-indole-2-carboxamide
SMILESCC1(C(N)=O)Nc2ccccc2C1(C)C
InChIInChI=1S/C12H16N2O/c1-11(2)8-6-4-5-7-9(8)14-12(11,3)10(13)15/h4-7,14H,1-3H3,(H2,13,15)
InChIKeyNYLXDHVTPGBJJF-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-1H-indole-2-carboxamide?
The IUPAC name of 2,3,3-trimethyl-1H-indole-2-carboxamide (CID 169059074) is 2,3,3-trimethyl-1H-indole-2-carboxamide.
What is the SMILES notation for 2,3,3-trimethyl-1H-indole-2-carboxamide?
The canonical SMILES for 2,3,3-trimethyl-1H-indole-2-carboxamide is CC1(C(N)=O)Nc2ccccc2C1(C)C.
What is the InChIKey of 2,3,3-trimethyl-1H-indole-2-carboxamide?
The InChIKey is NYLXDHVTPGBJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-11(2)8-6-4-5-7-9(8)14-12(11,3)10(13)15/h4-7,14H,1-3H3,(H2,13,15).
What are the key properties of 2,3,3-trimethyl-1H-indole-2-carboxamide?
2,3,3-trimethyl-1H-indole-2-carboxamide has a molecular weight of 204.27 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 169059074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).