1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]cyclopropane-1-carboxamide

C11H13N3O4 — CID 21299437

IUPAC1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]cyclopropane-1-carboxamide
SMILESNC(=O)C1(NC(=O)CCN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C11H13N3O4/c12-10(18)11(4-5-11)13-7(15)3-6-14-8(16)1-2-9(14)17/h1-2H,3-6H2,(H2,12,18)(H,13,15)
InChIKeyTWHKCGXJDBWLLE-UHFFFAOYSA-N
MW251.24 g/mol
LogP-1.56
Rot. Bonds5

About 1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]cyclopropane-1-carboxamide

1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]cyclopropane-1-carboxamide (PubChem CID 21299437) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]cyclopropane-1-carboxamide
PubChem CID21299437
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]cyclopropane-1-carboxamide
SMILESNC(=O)C1(NC(=O)CCN2C(=O)C=CC2=O)CC1
InChIInChI=1S/C11H13N3O4/c12-10(18)11(4-5-11)13-7(15)3-6-14-8(16)1-2-9(14)17/h1-2H,3-6H2,(H2,12,18)(H,13,15)
InChIKeyTWHKCGXJDBWLLE-UHFFFAOYSA-N
XLogP-1.56
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2,5-dioxopyrrol-1-yl)propanoylamino]cyclopropane-1-carboxamide?
The IUPAC name of 1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]cyclopropane-1-carboxamide (CID 21299437) is 1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]cyclopropane-1-carboxamide is NC(=O)C1(NC(=O)CCN2C(=O)C=CC2=O)CC1.
What is the InChIKey of 1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]cyclopropane-1-carboxamide?
The InChIKey is TWHKCGXJDBWLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c12-10(18)11(4-5-11)13-7(15)3-6-14-8(16)1-2-9(14)17/h1-2H,3-6H2,(H2,12,18)(H,13,15).
What are the key properties of 1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]cyclopropane-1-carboxamide?
1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]cyclopropane-1-carboxamide has a molecular weight of 251.24 g/mol, XLogP of -1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]cyclopropane-1-carboxamide is sourced from PubChem (CID 21299437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).