N-(aminomethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide

C7H9N3O3 — CID 23599855

IUPACN-(aminomethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide
SMILESNCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C7H9N3O3/c8-4-9-5(11)3-10-6(12)1-2-7(10)13/h1-2H,3-4,8H2,(H,9,11)
InChIKeyUABAFOXVHXXHKX-UHFFFAOYSA-N
MW183.17 g/mol
LogP-2.06
Rot. Bonds3

About N-(aminomethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide

N-(aminomethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide (PubChem CID 23599855) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is N-(aminomethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide.

Molecular Properties

Compound NameN-(aminomethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide
PubChem CID23599855
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC NameN-(aminomethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide
SMILESNCNC(=O)CN1C(=O)C=CC1=O
InChIInChI=1S/C7H9N3O3/c8-4-9-5(11)3-10-6(12)1-2-7(10)13/h1-2H,3-4,8H2,(H,9,11)
InChIKeyUABAFOXVHXXHKX-UHFFFAOYSA-N
XLogP-2.06
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-2.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(aminomethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide?
The IUPAC name of N-(aminomethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide (CID 23599855) is N-(aminomethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide.
What is the SMILES notation for N-(aminomethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide?
The canonical SMILES for N-(aminomethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide is NCNC(=O)CN1C(=O)C=CC1=O.
What is the InChIKey of N-(aminomethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide?
The InChIKey is UABAFOXVHXXHKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c8-4-9-5(11)3-10-6(12)1-2-7(10)13/h1-2H,3-4,8H2,(H,9,11).
What are the key properties of N-(aminomethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide?
N-(aminomethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide has a molecular weight of 183.17 g/mol, XLogP of -2.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethyl)-2-(2,5-dioxopyrrol-1-yl)acetamide is sourced from PubChem (CID 23599855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).