N-(2-azidoethyl)prop-2-enamide

C5H8N4O — CID 61343608

IUPACN-(2-azidoethyl)prop-2-enamide
SMILESC=CC(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C5H8N4O/c1-2-5(10)7-3-4-8-9-6/h2H,1,3-4H2,(H,7,10)
InChIKeySWGSFXOOYFBDOC-UHFFFAOYSA-N
MW140.15 g/mol
LogP0.60
Rot. Bonds4

About N-(2-azidoethyl)prop-2-enamide

N-(2-azidoethyl)prop-2-enamide (PubChem CID 61343608) has the molecular formula C5H8N4O and a molecular weight of 140.15 g/mol. Its IUPAC name is N-(2-azidoethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-azidoethyl)prop-2-enamide
PubChem CID61343608
Molecular FormulaC5H8N4O
Molecular Weight140.15 g/mol
Exact Mass140.07
IUPAC NameN-(2-azidoethyl)prop-2-enamide
SMILESC=CC(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C5H8N4O/c1-2-5(10)7-3-4-8-9-6/h2H,1,3-4H2,(H,7,10)
InChIKeySWGSFXOOYFBDOC-UHFFFAOYSA-N
XLogP0.60
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)prop-2-enamide?
The IUPAC name of N-(2-azidoethyl)prop-2-enamide (CID 61343608) is N-(2-azidoethyl)prop-2-enamide.
What is the SMILES notation for N-(2-azidoethyl)prop-2-enamide?
The canonical SMILES for N-(2-azidoethyl)prop-2-enamide is C=CC(=O)NCCN=[N+]=[N-].
What is the InChIKey of N-(2-azidoethyl)prop-2-enamide?
The InChIKey is SWGSFXOOYFBDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O/c1-2-5(10)7-3-4-8-9-6/h2H,1,3-4H2,(H,7,10).
What are the key properties of N-(2-azidoethyl)prop-2-enamide?
N-(2-azidoethyl)prop-2-enamide has a molecular weight of 140.15 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)prop-2-enamide is sourced from PubChem (CID 61343608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).