1-(3,7-diethyl-1H-indol-2-yl)ethanone

C14H17NO — CID 21239672

IUPAC1-(3,7-diethyl-1H-indol-2-yl)ethanone
SMILESCCc1c(C(C)=O)[nH]c2c(CC)cccc12
InChIInChI=1S/C14H17NO/c1-4-10-7-6-8-12-11(5-2)13(9(3)16)15-14(10)12/h6-8,15H,4-5H2,1-3H3
InChIKeyAYEMXISRVHWMFT-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.50
Rot. Bonds3

About 1-(3,7-diethyl-1H-indol-2-yl)ethanone

1-(3,7-diethyl-1H-indol-2-yl)ethanone (PubChem CID 21239672) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(3,7-diethyl-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,7-diethyl-1H-indol-2-yl)ethanone
PubChem CID21239672
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-(3,7-diethyl-1H-indol-2-yl)ethanone
SMILESCCc1c(C(C)=O)[nH]c2c(CC)cccc12
InChIInChI=1S/C14H17NO/c1-4-10-7-6-8-12-11(5-2)13(9(3)16)15-14(10)12/h6-8,15H,4-5H2,1-3H3
InChIKeyAYEMXISRVHWMFT-UHFFFAOYSA-N
XLogP3.50
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.50
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-(3,7-diethyl-1H-indol-2-yl)ethanone?
The IUPAC name of 1-(3,7-diethyl-1H-indol-2-yl)ethanone (CID 21239672) is 1-(3,7-diethyl-1H-indol-2-yl)ethanone.
What is the SMILES notation for 1-(3,7-diethyl-1H-indol-2-yl)ethanone?
The canonical SMILES for 1-(3,7-diethyl-1H-indol-2-yl)ethanone is CCc1c(C(C)=O)[nH]c2c(CC)cccc12.
What is the InChIKey of 1-(3,7-diethyl-1H-indol-2-yl)ethanone?
The InChIKey is AYEMXISRVHWMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-4-10-7-6-8-12-11(5-2)13(9(3)16)15-14(10)12/h6-8,15H,4-5H2,1-3H3.
What are the key properties of 1-(3,7-diethyl-1H-indol-2-yl)ethanone?
1-(3,7-diethyl-1H-indol-2-yl)ethanone has a molecular weight of 215.30 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-diethyl-1H-indol-2-yl)ethanone is sourced from PubChem (CID 21239672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).