1-[3-[bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione

C15H22N2O4 — CID 118673928

IUPAC1-[3-[bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione
SMILESCC(=O)CCN(CCCN1C(=O)C=CC1=O)CCC(C)=O
InChIInChI=1S/C15H22N2O4/c1-12(18)6-10-16(11-7-13(2)19)8-3-9-17-14(20)4-5-15(17)21/h4-5H,3,6-11H2,1-2H3
InChIKeyBLOYZBZMEYYIAA-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.56
Rot. Bonds10

About 1-[3-[bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione

1-[3-[bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione (PubChem CID 118673928) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 1-[3-[bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-[bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione
PubChem CID118673928
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name1-[3-[bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione
SMILESCC(=O)CCN(CCCN1C(=O)C=CC1=O)CCC(C)=O
InChIInChI=1S/C15H22N2O4/c1-12(18)6-10-16(11-7-13(2)19)8-3-9-17-14(20)4-5-15(17)21/h4-5H,3,6-11H2,1-2H3
InChIKeyBLOYZBZMEYYIAA-UHFFFAOYSA-N
XLogP0.56
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-[bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione (CID 118673928) is 1-[3-[bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-[bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-[bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione is CC(=O)CCN(CCCN1C(=O)C=CC1=O)CCC(C)=O.
What is the InChIKey of 1-[3-[bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione?
The InChIKey is BLOYZBZMEYYIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-12(18)6-10-16(11-7-13(2)19)8-3-9-17-14(20)4-5-15(17)21/h4-5H,3,6-11H2,1-2H3.
What are the key properties of 1-[3-[bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione?
1-[3-[bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione has a molecular weight of 294.35 g/mol, XLogP of 0.56, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[bis(3-oxobutyl)amino]propyl]pyrrole-2,5-dione is sourced from PubChem (CID 118673928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).