N-(2-azidoethyl)-2-methylpent-2-enamide

C8H14N4O — CID 61342491

IUPACN-(2-azidoethyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C8H14N4O/c1-3-4-7(2)8(13)10-5-6-11-12-9/h4H,3,5-6H2,1-2H3,(H,10,13)
InChIKeyAZXQXMLZKHXNRK-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.77
Rot. Bonds5

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

N-(2-azidoethyl)-2-methylpent-2-enamide (PubChem CID 61342491) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-(2-azidoethyl)-2-methylpent-2-enamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-2-methylpent-2-enamide
PubChem CID61342491
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-(2-azidoethyl)-2-methylpent-2-enamide
SMILESCCC=C(C)C(=O)NCCN=[N+]=[N-]
InChIInChI=1S/C8H14N4O/c1-3-4-7(2)8(13)10-5-6-11-12-9/h4H,3,5-6H2,1-2H3,(H,10,13)
InChIKeyAZXQXMLZKHXNRK-UHFFFAOYSA-N
XLogP1.77
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.77
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)-2-methylpent-2-enamide?
The IUPAC name of N-(2-azidoethyl)-2-methylpent-2-enamide (CID 61342491) is N-(2-azidoethyl)-2-methylpent-2-enamide.
What is the SMILES notation for N-(2-azidoethyl)-2-methylpent-2-enamide?
The canonical SMILES for N-(2-azidoethyl)-2-methylpent-2-enamide is CCC=C(C)C(=O)NCCN=[N+]=[N-].
What is the InChIKey of N-(2-azidoethyl)-2-methylpent-2-enamide?
The InChIKey is AZXQXMLZKHXNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-3-4-7(2)8(13)10-5-6-11-12-9/h4H,3,5-6H2,1-2H3,(H,10,13).
What are the key properties of N-(2-azidoethyl)-2-methylpent-2-enamide?
N-(2-azidoethyl)-2-methylpent-2-enamide has a molecular weight of 182.23 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)-2-methylpent-2-enamide is sourced from PubChem (CID 61342491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).