2-cyclohexyl-3H-isoindol-1-one

C14H17NO — CID 11063823

IUPAC2-cyclohexyl-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1C1CCCCC1
InChIInChI=1S/C14H17NO/c16-14-13-9-5-4-6-11(13)10-15(14)12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2
InChIKeyLJXVULPAVFPEKJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.98
Rot. Bonds1

About 2-cyclohexyl-3H-isoindol-1-one

2-cyclohexyl-3H-isoindol-1-one (PubChem CID 11063823) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-cyclohexyl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-cyclohexyl-3H-isoindol-1-one
PubChem CID11063823
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-cyclohexyl-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1C1CCCCC1
InChIInChI=1S/C14H17NO/c16-14-13-9-5-4-6-11(13)10-15(14)12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2
InChIKeyLJXVULPAVFPEKJ-UHFFFAOYSA-N
XLogP2.98
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-3H-isoindol-1-one?
The IUPAC name of 2-cyclohexyl-3H-isoindol-1-one (CID 11063823) is 2-cyclohexyl-3H-isoindol-1-one.
What is the SMILES notation for 2-cyclohexyl-3H-isoindol-1-one?
The canonical SMILES for 2-cyclohexyl-3H-isoindol-1-one is O=C1c2ccccc2CN1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-3H-isoindol-1-one?
The InChIKey is LJXVULPAVFPEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-14-13-9-5-4-6-11(13)10-15(14)12-7-2-1-3-8-12/h4-6,9,12H,1-3,7-8,10H2.
What are the key properties of 2-cyclohexyl-3H-isoindol-1-one?
2-cyclohexyl-3H-isoindol-1-one has a molecular weight of 215.30 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-3H-isoindol-1-one is sourced from PubChem (CID 11063823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).