3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one

C17H23NO — CID 106987031

IUPAC3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1NC(=O)C2CCC1CCCCC1
InChIInChI=1S/C17H23NO/c1-12-6-5-9-14-15(17(19)18-16(12)14)11-10-13-7-3-2-4-8-13/h5-6,9,13,15H,2-4,7-8,10-11H2,1H3,(H,18,19)
InChIKeyRXHJWKUXPOQPNM-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.39
Rot. Bonds3

About 3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one

3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one (PubChem CID 106987031) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one
PubChem CID106987031
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one
SMILESCc1cccc2c1NC(=O)C2CCC1CCCCC1
InChIInChI=1S/C17H23NO/c1-12-6-5-9-14-15(17(19)18-16(12)14)11-10-13-7-3-2-4-8-13/h5-6,9,13,15H,2-4,7-8,10-11H2,1H3,(H,18,19)
InChIKeyRXHJWKUXPOQPNM-UHFFFAOYSA-N
XLogP4.39
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-cyclohexylethyl)-7-fluoro-1,3-dihydroindol-2-one
CID 106987028
7-methyl-3-(piperidin-3-ylmethyl)-1,3-dihydroindol-2-one
CID 84631458
3-cyclohexyl-7-methyl-1,3-dihydroindol-2-one
CID 82081633
3-[(3-chlorophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912430
(3R)-3-[(2-bromophenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 98160364
7-methyl-3-[(2,4,5-trimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912363
3-[(2-bromo-5-methoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912366
7-methyl-3-[(4-propoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 43912377
3-[(2-ethoxyphenyl)methyl]-7-methyl-1,3-dihydroindol-2-one
CID 43912357
3-(2-aminoethyl)-7-chloro-1,3-dihydroindol-2-one
CID 63555300
7-methyl-3-pentan-3-yl-1,3-dihydroindol-2-one
CID 106986723
7-methyl-3-[(2-methylcyclopropyl)amino]-1,3-dihydroindol-2-one
CID 115001699

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one (CID 106987031) is 3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one is Cc1cccc2c1NC(=O)C2CCC1CCCCC1.
What is the InChIKey of 3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one?
The InChIKey is RXHJWKUXPOQPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-12-6-5-9-14-15(17(19)18-16(12)14)11-10-13-7-3-2-4-8-13/h5-6,9,13,15H,2-4,7-8,10-11H2,1H3,(H,18,19).
What are the key properties of 3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one?
3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one has a molecular weight of 257.38 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclohexylethyl)-7-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 106987031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).