4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one

C15H19N3O2 — CID 102888861

IUPAC4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)c2ccc3c(c2)NCC3)CC1=O
InChIInChI=1S/C15H19N3O2/c1-17-7-2-8-18(10-14(17)19)15(20)12-4-3-11-5-6-16-13(11)9-12/h3-4,9,16H,2,5-8,10H2,1H3
InChIKeyHGHRNQCHJITUFH-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.96
Rot. Bonds1

About 4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one

4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one (PubChem CID 102888861) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one
PubChem CID102888861
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one
SMILESCN1CCCN(C(=O)c2ccc3c(c2)NCC3)CC1=O
InChIInChI=1S/C15H19N3O2/c1-17-7-2-8-18(10-14(17)19)15(20)12-4-3-11-5-6-16-13(11)9-12/h3-4,9,16H,2,5-8,10H2,1H3
InChIKeyHGHRNQCHJITUFH-UHFFFAOYSA-N
XLogP0.96
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one?
The IUPAC name of 4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one (CID 102888861) is 4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one?
The canonical SMILES for 4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one is CN1CCCN(C(=O)c2ccc3c(c2)NCC3)CC1=O.
What is the InChIKey of 4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one?
The InChIKey is HGHRNQCHJITUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-7-2-8-18(10-14(17)19)15(20)12-4-3-11-5-6-16-13(11)9-12/h3-4,9,16H,2,5-8,10H2,1H3.
What are the key properties of 4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one?
4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one has a molecular weight of 273.34 g/mol, XLogP of 0.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-indole-6-carbonyl)-1-methyl-1,4-diazepan-2-one is sourced from PubChem (CID 102888861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).