2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one

C18H24N2O — CID 25268887

IUPAC2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one
SMILESCCN(CC)CC1CCc2c(n(C)c3ccccc23)C1=O
InChIInChI=1S/C18H24N2O/c1-4-20(5-2)12-13-10-11-15-14-8-6-7-9-16(14)19(3)17(15)18(13)21/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyURGGJNJKRIJBPB-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.27
Rot. Bonds4

About 2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one

2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one (PubChem CID 25268887) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one.

Molecular Properties

Compound Name2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one
PubChem CID25268887
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one
SMILESCCN(CC)CC1CCc2c(n(C)c3ccccc23)C1=O
InChIInChI=1S/C18H24N2O/c1-4-20(5-2)12-13-10-11-15-14-8-6-7-9-16(14)19(3)17(15)18(13)21/h6-9,13H,4-5,10-12H2,1-3H3
InChIKeyURGGJNJKRIJBPB-UHFFFAOYSA-N
XLogP3.27
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one?
The IUPAC name of 2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one (CID 25268887) is 2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one.
What is the SMILES notation for 2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one?
The canonical SMILES for 2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one is CCN(CC)CC1CCc2c(n(C)c3ccccc23)C1=O.
What is the InChIKey of 2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one?
The InChIKey is URGGJNJKRIJBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-20(5-2)12-13-10-11-15-14-8-6-7-9-16(14)19(3)17(15)18(13)21/h6-9,13H,4-5,10-12H2,1-3H3.
What are the key properties of 2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one?
2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one has a molecular weight of 284.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylaminomethyl)-9-methyl-3,4-dihydro-2H-carbazol-1-one is sourced from PubChem (CID 25268887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).