2,2-dimethylindol-3-olate

C10H10NO- — CID 123494049

IUPAC2,2-dimethylindol-3-olate
SMILESCC1(C)N=c2ccccc2=C1[O-]
InChIInChI=1S/C10H11NO/c1-10(2)9(12)7-5-3-4-6-8(7)11-10/h3-6,12H,1-2H3/p-1
InChIKeyJUTCGDNVAPPUFF-UHFFFAOYSA-M
MW160.20 g/mol
LogP-0.43
Rot. Bonds

About 2,2-dimethylindol-3-olate

2,2-dimethylindol-3-olate (PubChem CID 123494049) has the molecular formula C10H10NO- and a molecular weight of 160.20 g/mol. Its IUPAC name is 2,2-dimethylindol-3-olate.

Molecular Properties

Compound Name2,2-dimethylindol-3-olate
PubChem CID123494049
Molecular FormulaC10H10NO-
Molecular Weight160.20 g/mol
Exact Mass160.08
IUPAC Name2,2-dimethylindol-3-olate
SMILESCC1(C)N=c2ccccc2=C1[O-]
InChIInChI=1S/C10H11NO/c1-10(2)9(12)7-5-3-4-6-8(7)11-10/h3-6,12H,1-2H3/p-1
InChIKeyJUTCGDNVAPPUFF-UHFFFAOYSA-M
XLogP-0.43
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 5-0.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methylindol-2-ylium
CID 57054412
Trimethyl 2h indol
CID 101318478
2,2-Dimethylindole
CID 118895263
2-Methylindol-2-ol
CID 142662025
2,2,4-Trimethylindole
CID 152134202
1-(6-Methyliminocyclohexa-2,4-dien-1-ylidene)propan-1-olate
CID 57731260
2,2-Dimethylindol-4-ol
CID 136662873
CID 176449270
CID 176449270

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylindol-3-olate?
The IUPAC name of 2,2-dimethylindol-3-olate (CID 123494049) is 2,2-dimethylindol-3-olate.
What is the SMILES notation for 2,2-dimethylindol-3-olate?
The canonical SMILES for 2,2-dimethylindol-3-olate is CC1(C)N=c2ccccc2=C1[O-].
What is the InChIKey of 2,2-dimethylindol-3-olate?
The InChIKey is JUTCGDNVAPPUFF-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11NO/c1-10(2)9(12)7-5-3-4-6-8(7)11-10/h3-6,12H,1-2H3/p-1.
What are the key properties of 2,2-dimethylindol-3-olate?
2,2-dimethylindol-3-olate has a molecular weight of 160.20 g/mol, XLogP of -0.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylindol-3-olate is sourced from PubChem (CID 123494049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).