5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one

C16H20ClNO2 — CID 82173416

IUPAC5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c1cc(Cl)cc2C(O)C1CCCCC1
InChIInChI=1S/C16H20ClNO2/c1-9-12-7-11(17)8-13(14(12)18-16(9)20)15(19)10-5-3-2-4-6-10/h7-10,15,19H,2-6H2,1H3,(H,18,20)
InChIKeyCHWPKLGHTWVHSP-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.01
Rot. Bonds2

About 5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one

5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82173416) has the molecular formula C16H20ClNO2 and a molecular weight of 293.79 g/mol. Its IUPAC name is 5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one
PubChem CID82173416
Molecular FormulaC16H20ClNO2
Molecular Weight293.79 g/mol
Exact Mass293.12
IUPAC Name5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2c1cc(Cl)cc2C(O)C1CCCCC1
InChIInChI=1S/C16H20ClNO2/c1-9-12-7-11(17)8-13(14(12)18-16(9)20)15(19)10-5-3-2-4-6-10/h7-10,15,19H,2-6H2,1H3,(H,18,20)
InChIKeyCHWPKLGHTWVHSP-UHFFFAOYSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one (CID 82173416) is 5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2c1cc(Cl)cc2C(O)C1CCCCC1.
What is the InChIKey of 5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is CHWPKLGHTWVHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClNO2/c1-9-12-7-11(17)8-13(14(12)18-16(9)20)15(19)10-5-3-2-4-6-10/h7-10,15,19H,2-6H2,1H3,(H,18,20).
What are the key properties of 5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one?
5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 293.79 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-[cyclohexyl(hydroxy)methyl]-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).