1,4-diethyl-1,4-diazepane-2,3-dione

C9H16N2O2 — CID 12707289

IUPAC1,4-diethyl-1,4-diazepane-2,3-dione
SMILESCCN1CCCN(CC)C(=O)C1=O
InChIInChI=1S/C9H16N2O2/c1-3-10-6-5-7-11(4-2)9(13)8(10)12/h3-7H2,1-2H3
InChIKeyXYGJYVJAMNJPQT-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.09
Rot. Bonds2

About 1,4-diethyl-1,4-diazepane-2,3-dione

1,4-diethyl-1,4-diazepane-2,3-dione (PubChem CID 12707289) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1,4-diethyl-1,4-diazepane-2,3-dione.

Molecular Properties

Compound Name1,4-diethyl-1,4-diazepane-2,3-dione
PubChem CID12707289
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1,4-diethyl-1,4-diazepane-2,3-dione
SMILESCCN1CCCN(CC)C(=O)C1=O
InChIInChI=1S/C9H16N2O2/c1-3-10-6-5-7-11(4-2)9(13)8(10)12/h3-7H2,1-2H3
InChIKeyXYGJYVJAMNJPQT-UHFFFAOYSA-N
XLogP0.09
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,4-diethyl-1,4-diazepane-2,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-aminoethyl)-3-ethyl-1,3-diazinan-2-one
CID 82412046
potassium (4-ethyl-2,3-dioxopiperazin-1-yl)methyl-trifluoroboranuide
CID 63701781
1-ethylpyrrolidin-2-one;hydrazine
CID 159147234
1-ethyl-1,3-diazinan-2-one
CID 21479220
CID 177161125
CID 177161125
1-ethyl-3-(2,2,2-trifluoroethyl)-1,3-diazinan-2-one
CID 178098832
ethane;1-ethylpyrrolidin-2-one;methanethiol
CID 91355228
1-ethyl-6-methyl-3,4-dihydro-2H-pyrrolo[3,4-b]pyridine-5,7-dione
CID 134357046
1-ethyl-4-(9-sulfanylnonyl)piperazine-2,3-dione
CID 105344534
1-ethyl-3,3-dimethylpiperidin-2-one
CID 89133568
1-ethylpyrrolidin-2-one;sulfuric acid
CID 174895849
1-[(4-bromophenyl)methyl]-4-ethylpiperazine-2,3-dione
CID 54970796

Frequently Asked Questions

What is the IUPAC name of 1,4-diethyl-1,4-diazepane-2,3-dione?
The IUPAC name of 1,4-diethyl-1,4-diazepane-2,3-dione (CID 12707289) is 1,4-diethyl-1,4-diazepane-2,3-dione.
What is the SMILES notation for 1,4-diethyl-1,4-diazepane-2,3-dione?
The canonical SMILES for 1,4-diethyl-1,4-diazepane-2,3-dione is CCN1CCCN(CC)C(=O)C1=O.
What is the InChIKey of 1,4-diethyl-1,4-diazepane-2,3-dione?
The InChIKey is XYGJYVJAMNJPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-3-10-6-5-7-11(4-2)9(13)8(10)12/h3-7H2,1-2H3.
What are the key properties of 1,4-diethyl-1,4-diazepane-2,3-dione?
1,4-diethyl-1,4-diazepane-2,3-dione has a molecular weight of 184.24 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diethyl-1,4-diazepane-2,3-dione is sourced from PubChem (CID 12707289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).