1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one

C17H25NO — CID 63465339

IUPAC1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2ccn(CC3CCCCC3)c2C1
InChIInChI=1S/C17H25NO/c1-17(2)10-15-14(16(19)11-17)8-9-18(15)12-13-6-4-3-5-7-13/h8-9,13H,3-7,10-12H2,1-2H3
InChIKeyBXVPBGXFQRFZDX-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.22
Rot. Bonds2

About 1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one

1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one (PubChem CID 63465339) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
PubChem CID63465339
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one
SMILESCC1(C)CC(=O)c2ccn(CC3CCCCC3)c2C1
InChIInChI=1S/C17H25NO/c1-17(2)10-15-14(16(19)11-17)8-9-18(15)12-13-6-4-3-5-7-13/h8-9,13H,3-7,10-12H2,1-2H3
InChIKeyBXVPBGXFQRFZDX-UHFFFAOYSA-N
XLogP4.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The IUPAC name of 1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one (CID 63465339) is 1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one.
What is the SMILES notation for 1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The canonical SMILES for 1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one is CC1(C)CC(=O)c2ccn(CC3CCCCC3)c2C1.
What is the InChIKey of 1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
The InChIKey is BXVPBGXFQRFZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-17(2)10-15-14(16(19)11-17)8-9-18(15)12-13-6-4-3-5-7-13/h8-9,13H,3-7,10-12H2,1-2H3.
What are the key properties of 1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one?
1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one has a molecular weight of 259.39 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-6,6-dimethyl-5,7-dihydroindol-4-one is sourced from PubChem (CID 63465339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).