1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one

C16H21NO4 — CID 58811757

IUPAC1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one
SMILESCOCCC1(CCOC)C(=O)N(C(C)=O)c2ccccc21
InChIInChI=1S/C16H21NO4/c1-12(18)17-14-7-5-4-6-13(14)16(15(17)19,8-10-20-2)9-11-21-3/h4-7H,8-11H2,1-3H3
InChIKeyFGEPVXVUJLBAOU-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.89
Rot. Bonds6

About 1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one

1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one (PubChem CID 58811757) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one.

Molecular Properties

Compound Name1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one
PubChem CID58811757
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one
SMILESCOCCC1(CCOC)C(=O)N(C(C)=O)c2ccccc21
InChIInChI=1S/C16H21NO4/c1-12(18)17-14-7-5-4-6-13(14)16(15(17)19,8-10-20-2)9-11-21-3/h4-7H,8-11H2,1-3H3
InChIKeyFGEPVXVUJLBAOU-UHFFFAOYSA-N
XLogP1.89
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one?
The IUPAC name of 1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one (CID 58811757) is 1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one.
What is the SMILES notation for 1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one?
The canonical SMILES for 1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one is COCCC1(CCOC)C(=O)N(C(C)=O)c2ccccc21.
What is the InChIKey of 1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one?
The InChIKey is FGEPVXVUJLBAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-12(18)17-14-7-5-4-6-13(14)16(15(17)19,8-10-20-2)9-11-21-3/h4-7H,8-11H2,1-3H3.
What are the key properties of 1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one?
1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one has a molecular weight of 291.35 g/mol, XLogP of 1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-3,3-bis(2-methoxyethyl)indol-2-one is sourced from PubChem (CID 58811757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).