3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione

C18H21NO3 — CID 151102377

IUPAC3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione
SMILESCC1=C2C=CC(=O)C(C)=C2N(CCC2CCC(=O)CC2)C1=O
InChIInChI=1S/C18H21NO3/c1-11-15-7-8-16(21)12(2)17(15)19(18(11)22)10-9-13-3-5-14(20)6-4-13/h7-8,13H,3-6,9-10H2,1-2H3
InChIKeyMOJYUBYVUVPKEC-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.71
Rot. Bonds3

About 3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione

3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione (PubChem CID 151102377) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione.

Molecular Properties

Compound Name3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione
PubChem CID151102377
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione
SMILESCC1=C2C=CC(=O)C(C)=C2N(CCC2CCC(=O)CC2)C1=O
InChIInChI=1S/C18H21NO3/c1-11-15-7-8-16(21)12(2)17(15)19(18(11)22)10-9-13-3-5-14(20)6-4-13/h7-8,13H,3-6,9-10H2,1-2H3
InChIKeyMOJYUBYVUVPKEC-UHFFFAOYSA-N
XLogP2.71
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione?
The IUPAC name of 3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione (CID 151102377) is 3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione.
What is the SMILES notation for 3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione?
The canonical SMILES for 3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione is CC1=C2C=CC(=O)C(C)=C2N(CCC2CCC(=O)CC2)C1=O.
What is the InChIKey of 3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione?
The InChIKey is MOJYUBYVUVPKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-11-15-7-8-16(21)12(2)17(15)19(18(11)22)10-9-13-3-5-14(20)6-4-13/h7-8,13H,3-6,9-10H2,1-2H3.
What are the key properties of 3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione?
3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione has a molecular weight of 299.37 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-1-[2-(4-oxocyclohexyl)ethyl]indole-2,6-dione is sourced from PubChem (CID 151102377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).