N-(2-azidoethyl)cyclohex-3-ene-1-carboxamide

C9H14N4O — CID 61342492

IUPACN-(2-azidoethyl)cyclohex-3-ene-1-carboxamide
SMILES[N-]=[N+]=NCCNC(=O)C1CC=CCC1
InChIInChI=1S/C9H14N4O/c10-13-12-7-6-11-9(14)8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,11,14)
InChIKeyWCVADGCFIYLKSR-UHFFFAOYSA-N
MW194.24 g/mol
LogP1.77
Rot. Bonds4

About N-(2-azidoethyl)cyclohex-3-ene-1-carboxamide

N-(2-azidoethyl)cyclohex-3-ene-1-carboxamide (PubChem CID 61342492) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is N-(2-azidoethyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(2-azidoethyl)cyclohex-3-ene-1-carboxamide
PubChem CID61342492
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC NameN-(2-azidoethyl)cyclohex-3-ene-1-carboxamide
SMILES[N-]=[N+]=NCCNC(=O)C1CC=CCC1
InChIInChI=1S/C9H14N4O/c10-13-12-7-6-11-9(14)8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,11,14)
InChIKeyWCVADGCFIYLKSR-UHFFFAOYSA-N
XLogP1.77
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(2-azidoethyl)cyclohex-3-ene-1-carboxamide (CID 61342492) is N-(2-azidoethyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(2-azidoethyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(2-azidoethyl)cyclohex-3-ene-1-carboxamide is [N-]=[N+]=NCCNC(=O)C1CC=CCC1.
What is the InChIKey of N-(2-azidoethyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is WCVADGCFIYLKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-13-12-7-6-11-9(14)8-4-2-1-3-5-8/h1-2,8H,3-7H2,(H,11,14).
What are the key properties of N-(2-azidoethyl)cyclohex-3-ene-1-carboxamide?
N-(2-azidoethyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 194.24 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoethyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 61342492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).