1-acetyl-3,3-diethylindol-2-one

C14H17NO2 — CID 59379162

IUPAC1-acetyl-3,3-diethylindol-2-one
SMILESCCC1(CC)C(=O)N(C(C)=O)c2ccccc21
InChIInChI=1S/C14H17NO2/c1-4-14(5-2)11-8-6-7-9-12(11)15(10(3)16)13(14)17/h6-9H,4-5H2,1-3H3
InChIKeyPKTNNNPVSSMSFW-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.64
Rot. Bonds2

About 1-acetyl-3,3-diethylindol-2-one

1-acetyl-3,3-diethylindol-2-one (PubChem CID 59379162) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 1-acetyl-3,3-diethylindol-2-one.

Molecular Properties

Compound Name1-acetyl-3,3-diethylindol-2-one
PubChem CID59379162
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name1-acetyl-3,3-diethylindol-2-one
SMILESCCC1(CC)C(=O)N(C(C)=O)c2ccccc21
InChIInChI=1S/C14H17NO2/c1-4-14(5-2)11-8-6-7-9-12(11)15(10(3)16)13(14)17/h6-9H,4-5H2,1-3H3
InChIKeyPKTNNNPVSSMSFW-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one
CID 58811757
1-acetyl-3,3-bis[(3,4-dichlorophenyl)methyl]indol-2-one
CID 10074413
1-acetyl-3-benzyl-3-methylindol-2-one
CID 102230524
tert-butyl (3R)-3-benzyl-3-ethyl-2-oxoindole-1-carboxylate
CID 56966781
1-acetyl-3'-phenylspiro[indole-3,2'-oxete]-2-one
CID 101072475
1-acetyl-3',3'-diphenylspiro[indole-3,2'-oxetane]-2-one
CID 10737820
CID 57409056
CID 57409056
1'-acetyl-3-phenylspiro[1,3-thiazolidine-2,3'-indole]-2',4-dione
CID 12750665
(1S,5R,6R)-1'-acetylspiro[2,7-dioxabicyclo[3.2.0]hept-3-ene-6,3'-indole]-2'-one
CID 11821233
(2R)-1'-acetylspiro[3H-1,3-benzoxazine-2,3'-indole]-2',4-dione
CID 26183224
(2R)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one
CID 7348558
(2S)-1',3-diacetyl-5-pyridin-4-ylspiro[1,3,4-oxadiazole-2,3'-indole]-2'-one
CID 7348560

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3,3-diethylindol-2-one?
The IUPAC name of 1-acetyl-3,3-diethylindol-2-one (CID 59379162) is 1-acetyl-3,3-diethylindol-2-one.
What is the SMILES notation for 1-acetyl-3,3-diethylindol-2-one?
The canonical SMILES for 1-acetyl-3,3-diethylindol-2-one is CCC1(CC)C(=O)N(C(C)=O)c2ccccc21.
What is the InChIKey of 1-acetyl-3,3-diethylindol-2-one?
The InChIKey is PKTNNNPVSSMSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-14(5-2)11-8-6-7-9-12(11)15(10(3)16)13(14)17/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-acetyl-3,3-diethylindol-2-one?
1-acetyl-3,3-diethylindol-2-one has a molecular weight of 231.30 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3,3-diethylindol-2-one is sourced from PubChem (CID 59379162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).