3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one

C19H25NO — CID 116547086

IUPAC3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one
SMILESCc1ccc2c(C(=O)CCC3CCCCC3)cn(C)c2c1
InChIInChI=1S/C19H25NO/c1-14-8-10-16-17(13-20(2)18(16)12-14)19(21)11-9-15-6-4-3-5-7-15/h8,10,12-13,15H,3-7,9,11H2,1-2H3
InChIKeyBDZBNQVSQRJXDS-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.03
Rot. Bonds4

About 3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one

3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one (PubChem CID 116547086) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one
PubChem CID116547086
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one
SMILESCc1ccc2c(C(=O)CCC3CCCCC3)cn(C)c2c1
InChIInChI=1S/C19H25NO/c1-14-8-10-16-17(13-20(2)18(16)12-14)19(21)11-9-15-6-4-3-5-7-15/h8,10,12-13,15H,3-7,9,11H2,1-2H3
InChIKeyBDZBNQVSQRJXDS-UHFFFAOYSA-N
XLogP5.03
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one (CID 116547086) is 3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one is Cc1ccc2c(C(=O)CCC3CCCCC3)cn(C)c2c1.
What is the InChIKey of 3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one?
The InChIKey is BDZBNQVSQRJXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-14-8-10-16-17(13-20(2)18(16)12-14)19(21)11-9-15-6-4-3-5-7-15/h8,10,12-13,15H,3-7,9,11H2,1-2H3.
What are the key properties of 3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one?
3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one has a molecular weight of 283.42 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(1,6-dimethylindol-3-yl)propan-1-one is sourced from PubChem (CID 116547086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).