6,6-dimethyl-5,7-dihydro-3H-indol-4-one

C10H13NO — CID 158317366

IUPAC6,6-dimethyl-5,7-dihydro-3H-indol-4-one
SMILESCC1(C)CC(=O)C2=C(C1)N=CC2
InChIInChI=1S/C10H13NO/c1-10(2)5-8-7(3-4-11-8)9(12)6-10/h4H,3,5-6H2,1-2H3
InChIKeyILUPPWOIARSQRF-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.10
Rot. Bonds

About 6,6-dimethyl-5,7-dihydro-3H-indol-4-one

6,6-dimethyl-5,7-dihydro-3H-indol-4-one (PubChem CID 158317366) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 6,6-dimethyl-5,7-dihydro-3H-indol-4-one.

Molecular Properties

Compound Name6,6-dimethyl-5,7-dihydro-3H-indol-4-one
PubChem CID158317366
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name6,6-dimethyl-5,7-dihydro-3H-indol-4-one
SMILESCC1(C)CC(=O)C2=C(C1)N=CC2
InChIInChI=1S/C10H13NO/c1-10(2)5-8-7(3-4-11-8)9(12)6-10/h4H,3,5-6H2,1-2H3
InChIKeyILUPPWOIARSQRF-UHFFFAOYSA-N
XLogP2.10
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-5,7-dihydro-3H-indol-4-one?
The IUPAC name of 6,6-dimethyl-5,7-dihydro-3H-indol-4-one (CID 158317366) is 6,6-dimethyl-5,7-dihydro-3H-indol-4-one.
What is the SMILES notation for 6,6-dimethyl-5,7-dihydro-3H-indol-4-one?
The canonical SMILES for 6,6-dimethyl-5,7-dihydro-3H-indol-4-one is CC1(C)CC(=O)C2=C(C1)N=CC2.
What is the InChIKey of 6,6-dimethyl-5,7-dihydro-3H-indol-4-one?
The InChIKey is ILUPPWOIARSQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-10(2)5-8-7(3-4-11-8)9(12)6-10/h4H,3,5-6H2,1-2H3.
What are the key properties of 6,6-dimethyl-5,7-dihydro-3H-indol-4-one?
6,6-dimethyl-5,7-dihydro-3H-indol-4-one has a molecular weight of 163.22 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-5,7-dihydro-3H-indol-4-one is sourced from PubChem (CID 158317366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).