N-(2-azidoethyl)-2-cyclopent-2-en-1-ylacetamide

C9H14N4O — CID 61342495

IUPACN-(2-azidoethyl)-2-cyclopent-2-en-1-ylacetamide
SMILES[N-]=[N+]=NCCNC(=O)CC1C=CCC1
InChIInChI=1S/C9H14N4O/c10-13-12-6-5-11-9(14)7-8-3-1-2-4-8/h1,3,8H,2,4-7H2,(H,11,14)
InChIKeyMWVBOJAWNYJWOC-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.77
Rot. Bonds5

About N-(2-azidoethyl)-2-cyclopent-2-en-1-ylacetamide

N-(2-azidoethyl)-2-cyclopent-2-en-1-ylacetamide (PubChem CID 61342495) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(2-azidoethyl)-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-(2-azidoethyl)-2-cyclopent-2-en-1-ylacetamide
PubChem CID61342495
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(2-azidoethyl)-2-cyclopent-2-en-1-ylacetamide
SMILES[N-]=[N+]=NCCNC(=O)CC1C=CCC1
InChIInChI=1S/C9H14N4O/c10-13-12-6-5-11-9(14)7-8-3-1-2-4-8/h1,3,8H,2,4-7H2,(H,11,14)
InChIKeyMWVBOJAWNYJWOC-UHFFFAOYSA-N
XLogP1.77
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-azidoethyl)-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-(2-azidoethyl)-2-cyclopent-2-en-1-ylacetamide (CID 61342495) is N-(2-azidoethyl)-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-(2-azidoethyl)-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-(2-azidoethyl)-2-cyclopent-2-en-1-ylacetamide is [N-]=[N+]=NCCNC(=O)CC1C=CCC1.
What is the InChIKey of N-(2-azidoethyl)-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is MWVBOJAWNYJWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-13-12-6-5-11-9(14)7-8-3-1-2-4-8/h1,3,8H,2,4-7H2,(H,11,14).
What are the key properties of N-(2-azidoethyl)-2-cyclopent-2-en-1-ylacetamide?
N-(2-azidoethyl)-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 194.24 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-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 61342495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).