N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

C10H15N5O3 — CID 59757292

IUPACN-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC1CC(=O)N(CCC(=O)NCCN=[N+]=[N-])C1=O
InChIInChI=1S/C10H15N5O3/c1-7-6-9(17)15(10(7)18)5-2-8(16)12-3-4-13-14-11/h7H,2-6H2,1H3,(H,12,16)
InChIKeyAPYFCTOVHKUAJF-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.20
Rot. Bonds6

About N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide

N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 59757292) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID59757292
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC NameN-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCC1CC(=O)N(CCC(=O)NCCN=[N+]=[N-])C1=O
InChIInChI=1S/C10H15N5O3/c1-7-6-9(17)15(10(7)18)5-2-8(16)12-3-4-13-14-11/h7H,2-6H2,1H3,(H,12,16)
InChIKeyAPYFCTOVHKUAJF-UHFFFAOYSA-N
XLogP0.20
TPSA115.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 59757292) is N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is CC1CC(=O)N(CCC(=O)NCCN=[N+]=[N-])C1=O.
What is the InChIKey of N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is APYFCTOVHKUAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-7-6-9(17)15(10(7)18)5-2-8(16)12-3-4-13-14-11/h7H,2-6H2,1H3,(H,12,16).
What are the key properties of N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 253.26 g/mol, XLogP of 0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 59757292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).