3,3-dimethoxy-1H-indol-2-one;ethane

C12H17NO3 — CID 54484011

IUPAC3,3-dimethoxy-1H-indol-2-one;ethane
SMILESCC.COC1(OC)C(=O)Nc2ccccc21
InChIInChI=1S/C10H11NO3.C2H6/c1-13-10(14-2)7-5-3-4-6-8(7)11-9(10)12;1-2/h3-6H,1-2H3,(H,11,12);1-2H3
InChIKeyXRAAUTVEGVDTNK-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.11
Rot. Bonds2

About 3,3-dimethoxy-1H-indol-2-one;ethane

3,3-dimethoxy-1H-indol-2-one;ethane (PubChem CID 54484011) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 3,3-dimethoxy-1H-indol-2-one;ethane.

Molecular Properties

Compound Name3,3-dimethoxy-1H-indol-2-one;ethane
PubChem CID54484011
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name3,3-dimethoxy-1H-indol-2-one;ethane
SMILESCC.COC1(OC)C(=O)Nc2ccccc21
InChIInChI=1S/C10H11NO3.C2H6/c1-13-10(14-2)7-5-3-4-6-8(7)11-9(10)12;1-2/h3-6H,1-2H3,(H,11,12);1-2H3
InChIKeyXRAAUTVEGVDTNK-UHFFFAOYSA-N
XLogP2.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-3,3-dimethoxy-1H-indol-2-one
CID 162744174
methyl 3-methyl-2-oxo-1H-indole-3-carboxylate
CID 19848647
CID 146949857
CID 146949857
(3R)-3-hydroxy-3-(2-methoxyphenyl)-1H-indol-2-one
CID 7333204
3,3-dichloro-1H-indol-2-one
CID 719018
(3R)-3-benzyl-3-hydroxy-1H-indol-2-one
CID 139192718
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
phenyl (3S)-3-methyl-2-oxo-1H-indole-3-carboxylate
CID 102475842
tert-butyl 3-methyl-2-oxo-1H-indole-3-carboxylate
CID 122220537
3,3-dimethyl-1H-indol-2-one;ethanol
CID 158151574
spiro[1H-indole-3,1'-cyclopropane]-2-one;hydrochloride
CID 141126988
methyl 3-(3-hydroxy-2-oxo-1H-indol-3-yl)propanoate
CID 14903574

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethoxy-1H-indol-2-one;ethane?
The IUPAC name of 3,3-dimethoxy-1H-indol-2-one;ethane (CID 54484011) is 3,3-dimethoxy-1H-indol-2-one;ethane.
What is the SMILES notation for 3,3-dimethoxy-1H-indol-2-one;ethane?
The canonical SMILES for 3,3-dimethoxy-1H-indol-2-one;ethane is CC.COC1(OC)C(=O)Nc2ccccc21.
What is the InChIKey of 3,3-dimethoxy-1H-indol-2-one;ethane?
The InChIKey is XRAAUTVEGVDTNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3.C2H6/c1-13-10(14-2)7-5-3-4-6-8(7)11-9(10)12;1-2/h3-6H,1-2H3,(H,11,12);1-2H3.
What are the key properties of 3,3-dimethoxy-1H-indol-2-one;ethane?
3,3-dimethoxy-1H-indol-2-one;ethane has a molecular weight of 223.27 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethoxy-1H-indol-2-one;ethane is sourced from PubChem (CID 54484011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).