1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one

C10H11ClN2O3 — CID 106686783

IUPAC1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)c2ccoc2Cl)CCN1
InChIInChI=1S/C10H11ClN2O3/c11-9-7(2-6-16-9)10(15)13-4-1-8(14)12-3-5-13/h2,6H,1,3-5H2,(H,12,14)
InChIKeyNVTZEWVGRJNROB-UHFFFAOYSA-N
MW242.66 g/mol
LogP0.90
Rot. Bonds1

About 1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one

1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one (PubChem CID 106686783) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one
PubChem CID106686783
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one
SMILESO=C1CCN(C(=O)c2ccoc2Cl)CCN1
InChIInChI=1S/C10H11ClN2O3/c11-9-7(2-6-16-9)10(15)13-4-1-8(14)12-3-5-13/h2,6H,1,3-5H2,(H,12,14)
InChIKeyNVTZEWVGRJNROB-UHFFFAOYSA-N
XLogP0.90
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one 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-chloropyridine-3-carbonyl)-1,4-diazepan-5-one
CID 60708067
1-(2,4-dichlorobenzoyl)-1,4-diazepan-5-one
CID 55027869
(2-chlorofuran-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 106683662
1-(2-chlorofuran-3-carbonyl)piperidin-3-one
CID 106685034
1-(2-fluoropyridine-3-carbonyl)-1,4-diazepan-5-one
CID 114037699
(2-chlorofuran-3-yl)-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 106686183
(2-chlorofuran-3-yl)-(4-methylpiperidin-1-yl)methanone
CID 106685117
1-(2-methylpyrazole-3-carbonyl)-1,4-diazepan-5-one
CID 62317121
1-(5-amino-1H-pyrazole-4-carbonyl)-1,4-diazepan-5-one
CID 63003991
(2-chlorofuran-3-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 106685458
1-(2-fluoro-4-hydroxybenzoyl)-1,4-diazepan-5-one
CID 104929759
1-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-1,4-diazepan-5-one
CID 62046592

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one (CID 106686783) is 1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one is O=C1CCN(C(=O)c2ccoc2Cl)CCN1.
What is the InChIKey of 1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one?
The InChIKey is NVTZEWVGRJNROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-9-7(2-6-16-9)10(15)13-4-1-8(14)12-3-5-13/h2,6H,1,3-5H2,(H,12,14).
What are the key properties of 1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one?
1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one has a molecular weight of 242.66 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 106686783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).