1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone

C17H24N2O — CID 83212360

IUPAC1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
SMILESCc1cc2c(cc1N)N(C(=O)CC1CCCCC1)CC2
InChIInChI=1S/C17H24N2O/c1-12-9-14-7-8-19(16(14)11-15(12)18)17(20)10-13-5-3-2-4-6-13/h9,11,13H,2-8,10,18H2,1H3
InChIKeyWKXQKYCTZQRINI-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.44
Rot. Bonds2

About 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone

1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone (PubChem CID 83212360) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone.

Molecular Properties

Compound Name1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
PubChem CID83212360
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone
SMILESCc1cc2c(cc1N)N(C(=O)CC1CCCCC1)CC2
InChIInChI=1S/C17H24N2O/c1-12-9-14-7-8-19(16(14)11-15(12)18)17(20)10-13-5-3-2-4-6-13/h9,11,13H,2-8,10,18H2,1H3
InChIKeyWKXQKYCTZQRINI-UHFFFAOYSA-N
XLogP3.44
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone?
The IUPAC name of 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone (CID 83212360) is 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone.
What is the SMILES notation for 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone?
The canonical SMILES for 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone is Cc1cc2c(cc1N)N(C(=O)CC1CCCCC1)CC2.
What is the InChIKey of 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone?
The InChIKey is WKXQKYCTZQRINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-9-14-7-8-19(16(14)11-15(12)18)17(20)10-13-5-3-2-4-6-13/h9,11,13H,2-8,10,18H2,1H3.
What are the key properties of 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone?
1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone has a molecular weight of 272.39 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-2-cyclohexylethanone is sourced from PubChem (CID 83212360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).