1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione

C12H17N3O4 — CID 62897036

IUPAC1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione
SMILESO=C1CN(C(=O)CCN2C(=O)CCC2=O)CCCN1
InChIInChI=1S/C12H17N3O4/c16-9-8-14(6-1-5-13-9)10(17)4-7-15-11(18)2-3-12(15)19/h1-8H2,(H,13,16)
InChIKeyMQGIAZYYZNOCDP-UHFFFAOYSA-N
MW267.28 g/mol
LogP-1.13
Rot. Bonds3

About 1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione

1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione (PubChem CID 62897036) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione
PubChem CID62897036
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione
SMILESO=C1CN(C(=O)CCN2C(=O)CCC2=O)CCCN1
InChIInChI=1S/C12H17N3O4/c16-9-8-14(6-1-5-13-9)10(17)4-7-15-11(18)2-3-12(15)19/h1-8H2,(H,13,16)
InChIKeyMQGIAZYYZNOCDP-UHFFFAOYSA-N
XLogP-1.13
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione with MolForge

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Related Compounds

4-pentanoyl-1,4-diazepan-2-one
CID 62898703
4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4-diazepan-2-one
CID 62898319
4-(4-cyclohexylbutanoyl)-1,4-diazepan-2-one
CID 62897580
4-(5-amino-4-methylpentanoyl)-1,4-diazepan-2-one
CID 82688047
4-(3-piperidin-2-ylpropanoyl)-1,4-diazepan-2-one
CID 65363828
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 60667552
4-(3-aminobutanoyl)-1,4-diazepan-2-one
CID 65366461
4-(4-phenoxybutanoyl)-1,4-diazepan-2-one
CID 29257758
4-(3-thiophen-2-ylpropanoyl)-1,4-diazepan-2-one
CID 62897426
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 18108216
1-[3-(3-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 119580581
N'-hydroxy-3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propanimidamide
CID 77066466

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione (CID 62897036) is 1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione is O=C1CN(C(=O)CCN2C(=O)CCC2=O)CCCN1.
What is the InChIKey of 1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione?
The InChIKey is MQGIAZYYZNOCDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-9-8-14(6-1-5-13-9)10(17)4-7-15-11(18)2-3-12(15)19/h1-8H2,(H,13,16).
What are the key properties of 1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione?
1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione has a molecular weight of 267.28 g/mol, XLogP of -1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-(3-oxo-1,4-diazepan-1-yl)propyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 62897036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).