1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one

C23H22N2O3 — CID 160962803

IUPAC1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one
SMILESO=C1c2ccccc2NC1C1C(=O)c2ccccc2N1C(=O)C1CCCCC1
InChIInChI=1S/C23H22N2O3/c26-21-15-10-4-6-12-17(15)24-19(21)20-22(27)16-11-5-7-13-18(16)25(20)23(28)14-8-2-1-3-9-14/h4-7,10-14,19-20,24H,1-3,8-9H2
InChIKeySXFMHVKGQHWDHI-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.84
Rot. Bonds2

About 1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one

1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one (PubChem CID 160962803) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is 1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one.

Molecular Properties

Compound Name1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one
PubChem CID160962803
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC Name1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one
SMILESO=C1c2ccccc2NC1C1C(=O)c2ccccc2N1C(=O)C1CCCCC1
InChIInChI=1S/C23H22N2O3/c26-21-15-10-4-6-12-17(15)24-19(21)20-22(27)16-11-5-7-13-18(16)25(20)23(28)14-8-2-1-3-9-14/h4-7,10-14,19-20,24H,1-3,8-9H2
InChIKeySXFMHVKGQHWDHI-UHFFFAOYSA-N
XLogP3.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one?
The IUPAC name of 1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one (CID 160962803) is 1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one.
What is the SMILES notation for 1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one?
The canonical SMILES for 1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one is O=C1c2ccccc2NC1C1C(=O)c2ccccc2N1C(=O)C1CCCCC1.
What is the InChIKey of 1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one?
The InChIKey is SXFMHVKGQHWDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c26-21-15-10-4-6-12-17(15)24-19(21)20-22(27)16-11-5-7-13-18(16)25(20)23(28)14-8-2-1-3-9-14/h4-7,10-14,19-20,24H,1-3,8-9H2.
What are the key properties of 1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one?
1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one has a molecular weight of 374.44 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexanecarbonyl)-2-(3-oxo-1,2-dihydroindol-2-yl)-2H-indol-3-one is sourced from PubChem (CID 160962803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).