4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate

C16H16N2O7 — CID 87396636

IUPAC4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate
SMILESO=C(CCCN1C(=O)C=CC1=O)OC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H16N2O7/c19-11-5-6-12(20)17(11)9-1-3-15(23)25-16(24)4-2-10-18-13(21)7-8-14(18)22/h5-8H,1-4,9-10H2
InChIKeyRNFCJVPYTFGDBC-UHFFFAOYSA-N
MW348.31 g/mol
LogP-0.53
Rot. Bonds8

About 4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate

4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate (PubChem CID 87396636) has the molecular formula C16H16N2O7 and a molecular weight of 348.31 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate.

Molecular Properties

Compound Name4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate
PubChem CID87396636
Molecular FormulaC16H16N2O7
Molecular Weight348.31 g/mol
Exact Mass348.10
IUPAC Name4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate
SMILESO=C(CCCN1C(=O)C=CC1=O)OC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C16H16N2O7/c19-11-5-6-12(20)17(11)9-1-3-15(23)25-16(24)4-2-10-18-13(21)7-8-14(18)22/h5-8H,1-4,9-10H2
InChIKeyRNFCJVPYTFGDBC-UHFFFAOYSA-N
XLogP-0.53
TPSA118.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.31
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate 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

4-Maleimidobutyric Acid
CID 3404904
Methyl 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanoate
CID 11629774
Sodium 4-maleimidobutyrate
CID 121347902
(2,5-Dioxopyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 11821930
1-[4-[4-(2,5-Dioxopyrrol-1-yl)butoxy]butyl]pyrrole-2,5-dione
CID 17857428
4-(2,5-Dioxopyrrol-1-yl)butanoyl 4-[4-(2,5-dioxopyrrol-1-yl)butanoyloxy]-4-iminobutanoate
CID 19814089
Thionitroso 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 21351005
4-(2,5-Dioxopyrrol-1-yl)butanoate
CID 22907752
N-Maleoyl-5-NH2butyric acid,Et ester
CID 23274068
6-(2,5-Dioxopyrrol-1-yl)hexanoyl 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 54041172
Butyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 69336081
Propyl 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 69337299

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate?
The IUPAC name of 4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate (CID 87396636) is 4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate.
What is the SMILES notation for 4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate?
The canonical SMILES for 4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate is O=C(CCCN1C(=O)C=CC1=O)OC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate?
The InChIKey is RNFCJVPYTFGDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O7/c19-11-5-6-12(20)17(11)9-1-3-15(23)25-16(24)4-2-10-18-13(21)7-8-14(18)22/h5-8H,1-4,9-10H2.
What are the key properties of 4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate?
4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate has a molecular weight of 348.31 g/mol, XLogP of -0.53, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrol-1-yl)butanoyl 4-(2,5-dioxopyrrol-1-yl)butanoate is sourced from PubChem (CID 87396636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).