4-(2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide

C11H18N2O3 — CID 17035019

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide
SMILESCCCNC(=O)CCCN1C(=O)CCC1=O
InChIInChI=1S/C11H18N2O3/c1-2-7-12-9(14)4-3-8-13-10(15)5-6-11(13)16/h2-8H2,1H3,(H,12,14)
InChIKeyHKDKBDBAISNQTA-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.44
Rot. Bonds6

About 4-(2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide

4-(2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide (PubChem CID 17035019) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide
PubChem CID17035019
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide
SMILESCCCNC(=O)CCCN1C(=O)CCC1=O
InChIInChI=1S/C11H18N2O3/c1-2-7-12-9(14)4-3-8-13-10(15)5-6-11(13)16/h2-8H2,1H3,(H,12,14)
InChIKeyHKDKBDBAISNQTA-UHFFFAOYSA-N
XLogP0.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide (CID 17035019) is 4-(2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide is CCCNC(=O)CCCN1C(=O)CCC1=O.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide?
The InChIKey is HKDKBDBAISNQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-2-7-12-9(14)4-3-8-13-10(15)5-6-11(13)16/h2-8H2,1H3,(H,12,14).
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide has a molecular weight of 226.28 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-propylbutanamide is sourced from PubChem (CID 17035019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).