N-(3-azidopropyl)-2-cyclopent-2-en-1-ylacetamide

C10H16N4O — CID 61344182

IUPACN-(3-azidopropyl)-2-cyclopent-2-en-1-ylacetamide
SMILES[N-]=[N+]=NCCCNC(=O)CC1C=CCC1
InChIInChI=1S/C10H16N4O/c11-14-13-7-3-6-12-10(15)8-9-4-1-2-5-9/h1,4,9H,2-3,5-8H2,(H,12,15)
InChIKeyGKVBHDNNJUVDJV-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.16
Rot. Bonds6

About N-(3-azidopropyl)-2-cyclopent-2-en-1-ylacetamide

N-(3-azidopropyl)-2-cyclopent-2-en-1-ylacetamide (PubChem CID 61344182) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(3-azidopropyl)-2-cyclopent-2-en-1-ylacetamide.

Molecular Properties

Compound NameN-(3-azidopropyl)-2-cyclopent-2-en-1-ylacetamide
PubChem CID61344182
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-(3-azidopropyl)-2-cyclopent-2-en-1-ylacetamide
SMILES[N-]=[N+]=NCCCNC(=O)CC1C=CCC1
InChIInChI=1S/C10H16N4O/c11-14-13-7-3-6-12-10(15)8-9-4-1-2-5-9/h1,4,9H,2-3,5-8H2,(H,12,15)
InChIKeyGKVBHDNNJUVDJV-UHFFFAOYSA-N
XLogP2.16
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.16
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-(3-azidopropyl)-2-cyclopent-2-en-1-ylacetamide?
The IUPAC name of N-(3-azidopropyl)-2-cyclopent-2-en-1-ylacetamide (CID 61344182) is N-(3-azidopropyl)-2-cyclopent-2-en-1-ylacetamide.
What is the SMILES notation for N-(3-azidopropyl)-2-cyclopent-2-en-1-ylacetamide?
The canonical SMILES for N-(3-azidopropyl)-2-cyclopent-2-en-1-ylacetamide is [N-]=[N+]=NCCCNC(=O)CC1C=CCC1.
What is the InChIKey of N-(3-azidopropyl)-2-cyclopent-2-en-1-ylacetamide?
The InChIKey is GKVBHDNNJUVDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-14-13-7-3-6-12-10(15)8-9-4-1-2-5-9/h1,4,9H,2-3,5-8H2,(H,12,15).
What are the key properties of N-(3-azidopropyl)-2-cyclopent-2-en-1-ylacetamide?
N-(3-azidopropyl)-2-cyclopent-2-en-1-ylacetamide has a molecular weight of 208.26 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)-2-cyclopent-2-en-1-ylacetamide is sourced from PubChem (CID 61344182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).