1-ethyl-3-(1H-indol-2-yl)azepan-2-one

C16H20N2O — CID 152739871

IUPAC1-ethyl-3-(1H-indol-2-yl)azepan-2-one
SMILESCCN1CCCCC(c2cc3ccccc3[nH]2)C1=O
InChIInChI=1S/C16H20N2O/c1-2-18-10-6-5-8-13(16(18)19)15-11-12-7-3-4-9-14(12)17-15/h3-4,7,9,11,13,17H,2,5-6,8,10H2,1H3
InChIKeyZZJVLJNFECTHDL-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.28
Rot. Bonds2

About 1-ethyl-3-(1H-indol-2-yl)azepan-2-one

1-ethyl-3-(1H-indol-2-yl)azepan-2-one (PubChem CID 152739871) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-ethyl-3-(1H-indol-2-yl)azepan-2-one.

Molecular Properties

Compound Name1-ethyl-3-(1H-indol-2-yl)azepan-2-one
PubChem CID152739871
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-ethyl-3-(1H-indol-2-yl)azepan-2-one
SMILESCCN1CCCCC(c2cc3ccccc3[nH]2)C1=O
InChIInChI=1S/C16H20N2O/c1-2-18-10-6-5-8-13(16(18)19)15-11-12-7-3-4-9-14(12)17-15/h3-4,7,9,11,13,17H,2,5-6,8,10H2,1H3
InChIKeyZZJVLJNFECTHDL-UHFFFAOYSA-N
XLogP3.28
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclohexyl-1H-indole
CID 607977
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1-[2-(1H-indol-2-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113089000
N-[(1-ethylpyrazol-4-yl)methyl]-2-(1H-indol-2-yl)piperidine-1-carboxamide
CID 154757998
1-[3-(1H-indol-2-yl)piperidin-1-yl]butan-1-one
CID 113088532
2-[1-(2-methylphenyl)sulfonylpiperidin-2-yl]-1H-indole
CID 113089044
2-(1-propylsulfonylpiperidin-3-yl)-1H-indole
CID 113088602
4-(1H-indol-2-yl)-2-methyl-1-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 141465278
2-[1-(piperidin-4-ylmethyl)piperidin-2-yl]-1H-indole;hydrochloride
CID 119931465
3-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110355917
4-(1H-indol-2-yl)-2-methyl-7-piperidin-1-yl-3,4-dihydro-1H-isoquinoline
CID 68997392

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1H-indol-2-yl)azepan-2-one?
The IUPAC name of 1-ethyl-3-(1H-indol-2-yl)azepan-2-one (CID 152739871) is 1-ethyl-3-(1H-indol-2-yl)azepan-2-one.
What is the SMILES notation for 1-ethyl-3-(1H-indol-2-yl)azepan-2-one?
The canonical SMILES for 1-ethyl-3-(1H-indol-2-yl)azepan-2-one is CCN1CCCCC(c2cc3ccccc3[nH]2)C1=O.
What is the InChIKey of 1-ethyl-3-(1H-indol-2-yl)azepan-2-one?
The InChIKey is ZZJVLJNFECTHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-18-10-6-5-8-13(16(18)19)15-11-12-7-3-4-9-14(12)17-15/h3-4,7,9,11,13,17H,2,5-6,8,10H2,1H3.
What are the key properties of 1-ethyl-3-(1H-indol-2-yl)azepan-2-one?
1-ethyl-3-(1H-indol-2-yl)azepan-2-one has a molecular weight of 256.35 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1H-indol-2-yl)azepan-2-one is sourced from PubChem (CID 152739871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).