N-(2,3,7-trimethyl-1H-indol-6-yl)acetamide

C13H16N2O — CID 19787509

IUPACN-(2,3,7-trimethyl-1H-indol-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(C)c(C)[nH]c2c1C
InChIInChI=1S/C13H16N2O/c1-7-9(3)14-13-8(2)12(15-10(4)16)6-5-11(7)13/h5-6,14H,1-4H3,(H,15,16)
InChIKeyHILDPMYCFLWDFV-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.05
Rot. Bonds1

About N-(2,3,7-trimethyl-1H-indol-6-yl)acetamide

N-(2,3,7-trimethyl-1H-indol-6-yl)acetamide (PubChem CID 19787509) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(2,3,7-trimethyl-1H-indol-6-yl)acetamide.

Molecular Properties

Compound NameN-(2,3,7-trimethyl-1H-indol-6-yl)acetamide
PubChem CID19787509
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(2,3,7-trimethyl-1H-indol-6-yl)acetamide
SMILESCC(=O)Nc1ccc2c(C)c(C)[nH]c2c1C
InChIInChI=1S/C13H16N2O/c1-7-9(3)14-13-8(2)12(15-10(4)16)6-5-11(7)13/h5-6,14H,1-4H3,(H,15,16)
InChIKeyHILDPMYCFLWDFV-UHFFFAOYSA-N
XLogP3.05
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,7-trimethyl-1H-indol-6-yl)acetamide?
The IUPAC name of N-(2,3,7-trimethyl-1H-indol-6-yl)acetamide (CID 19787509) is N-(2,3,7-trimethyl-1H-indol-6-yl)acetamide.
What is the SMILES notation for N-(2,3,7-trimethyl-1H-indol-6-yl)acetamide?
The canonical SMILES for N-(2,3,7-trimethyl-1H-indol-6-yl)acetamide is CC(=O)Nc1ccc2c(C)c(C)[nH]c2c1C.
What is the InChIKey of N-(2,3,7-trimethyl-1H-indol-6-yl)acetamide?
The InChIKey is HILDPMYCFLWDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-7-9(3)14-13-8(2)12(15-10(4)16)6-5-11(7)13/h5-6,14H,1-4H3,(H,15,16).
What are the key properties of N-(2,3,7-trimethyl-1H-indol-6-yl)acetamide?
N-(2,3,7-trimethyl-1H-indol-6-yl)acetamide has a molecular weight of 216.28 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,7-trimethyl-1H-indol-6-yl)acetamide is sourced from PubChem (CID 19787509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).