1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone

C14H17NO — CID 22097863

IUPAC1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone
SMILESCC(=O)c1[nH]c2ccc(C(C)C)cc2c1C
InChIInChI=1S/C14H17NO/c1-8(2)11-5-6-13-12(7-11)9(3)14(15-13)10(4)16/h5-8,15H,1-4H3
InChIKeyACYAOODLPIBZNI-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.80
Rot. Bonds2

About 1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone

1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone (PubChem CID 22097863) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone
PubChem CID22097863
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone
SMILESCC(=O)c1[nH]c2ccc(C(C)C)cc2c1C
InChIInChI=1S/C14H17NO/c1-8(2)11-5-6-13-12(7-11)9(3)14(15-13)10(4)16/h5-8,15H,1-4H3
InChIKeyACYAOODLPIBZNI-UHFFFAOYSA-N
XLogP3.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.80
H-Bond Donors ≤ 51
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 1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone?
The IUPAC name of 1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone (CID 22097863) is 1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone.
What is the SMILES notation for 1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone?
The canonical SMILES for 1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone is CC(=O)c1[nH]c2ccc(C(C)C)cc2c1C.
What is the InChIKey of 1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone?
The InChIKey is ACYAOODLPIBZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-8(2)11-5-6-13-12(7-11)9(3)14(15-13)10(4)16/h5-8,15H,1-4H3.
What are the key properties of 1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone?
1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone has a molecular weight of 215.30 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-5-propan-2-yl-1H-indol-2-yl)ethanone is sourced from PubChem (CID 22097863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).