3,3-dimethyl-4,5-dihydro-1H-indol-2-one

C10H13NO — CID 18952458

IUPAC3,3-dimethyl-4,5-dihydro-1H-indol-2-one
SMILESCC1(C)C(=O)NC2=C1CCC=C2
InChIInChI=1S/C10H13NO/c1-10(2)7-5-3-4-6-8(7)11-9(10)12/h4,6H,3,5H2,1-2H3,(H,11,12)
InChIKeyUFXQAXCNAKJMNR-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.75
Rot. Bonds

About 3,3-dimethyl-4,5-dihydro-1H-indol-2-one

3,3-dimethyl-4,5-dihydro-1H-indol-2-one (PubChem CID 18952458) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3,3-dimethyl-4,5-dihydro-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4,5-dihydro-1H-indol-2-one
PubChem CID18952458
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3,3-dimethyl-4,5-dihydro-1H-indol-2-one
SMILESCC1(C)C(=O)NC2=C1CCC=C2
InChIInChI=1S/C10H13NO/c1-10(2)7-5-3-4-6-8(7)11-9(10)12/h4,6H,3,5H2,1-2H3,(H,11,12)
InChIKeyUFXQAXCNAKJMNR-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4,5-dihydro-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-4,5-dihydro-1H-indol-2-one (CID 18952458) is 3,3-dimethyl-4,5-dihydro-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-4,5-dihydro-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-4,5-dihydro-1H-indol-2-one is CC1(C)C(=O)NC2=C1CCC=C2.
What is the InChIKey of 3,3-dimethyl-4,5-dihydro-1H-indol-2-one?
The InChIKey is UFXQAXCNAKJMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-10(2)7-5-3-4-6-8(7)11-9(10)12/h4,6H,3,5H2,1-2H3,(H,11,12).
What are the key properties of 3,3-dimethyl-4,5-dihydro-1H-indol-2-one?
3,3-dimethyl-4,5-dihydro-1H-indol-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4,5-dihydro-1H-indol-2-one is sourced from PubChem (CID 18952458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).