N-but-3-enyl-2-[(3-oxooxiran-2-yl)amino]acetamide

C8H12N2O3 — CID 146374349

IUPACN-but-3-enyl-2-[(3-oxooxiran-2-yl)amino]acetamide
SMILESC=CCCNC(=O)CNC1OC1=O
InChIInChI=1S/C8H12N2O3/c1-2-3-4-9-6(11)5-10-7-8(12)13-7/h2,7,10H,1,3-5H2,(H,9,11)
InChIKeyAPZNBYKRRCERCL-UHFFFAOYSA-N
MW184.19 g/mol
LogP-0.85
Rot. Bonds6

About N-but-3-enyl-2-[(3-oxooxiran-2-yl)amino]acetamide

N-but-3-enyl-2-[(3-oxooxiran-2-yl)amino]acetamide (PubChem CID 146374349) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is N-but-3-enyl-2-[(3-oxooxiran-2-yl)amino]acetamide.

Molecular Properties

Compound NameN-but-3-enyl-2-[(3-oxooxiran-2-yl)amino]acetamide
PubChem CID146374349
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC NameN-but-3-enyl-2-[(3-oxooxiran-2-yl)amino]acetamide
SMILESC=CCCNC(=O)CNC1OC1=O
InChIInChI=1S/C8H12N2O3/c1-2-3-4-9-6(11)5-10-7-8(12)13-7/h2,7,10H,1,3-5H2,(H,9,11)
InChIKeyAPZNBYKRRCERCL-UHFFFAOYSA-N
XLogP-0.85
TPSA70.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

methyl N-[2-(but-3-enylamino)-2-oxoethyl]carbamate
CID 123759246

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-[(3-oxooxiran-2-yl)amino]acetamide?
The IUPAC name of N-but-3-enyl-2-[(3-oxooxiran-2-yl)amino]acetamide (CID 146374349) is N-but-3-enyl-2-[(3-oxooxiran-2-yl)amino]acetamide.
What is the SMILES notation for N-but-3-enyl-2-[(3-oxooxiran-2-yl)amino]acetamide?
The canonical SMILES for N-but-3-enyl-2-[(3-oxooxiran-2-yl)amino]acetamide is C=CCCNC(=O)CNC1OC1=O.
What is the InChIKey of N-but-3-enyl-2-[(3-oxooxiran-2-yl)amino]acetamide?
The InChIKey is APZNBYKRRCERCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-2-3-4-9-6(11)5-10-7-8(12)13-7/h2,7,10H,1,3-5H2,(H,9,11).
What are the key properties of N-but-3-enyl-2-[(3-oxooxiran-2-yl)amino]acetamide?
N-but-3-enyl-2-[(3-oxooxiran-2-yl)amino]acetamide has a molecular weight of 184.19 g/mol, XLogP of -0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-[(3-oxooxiran-2-yl)amino]acetamide is sourced from PubChem (CID 146374349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).