N-(3-azidopropyl)cyclohex-3-ene-1-carboxamide

C10H16N4O — CID 61344357

IUPACN-(3-azidopropyl)cyclohex-3-ene-1-carboxamide
SMILES[N-]=[N+]=NCCCNC(=O)C1CC=CCC1
InChIInChI=1S/C10H16N4O/c11-14-13-8-4-7-12-10(15)9-5-2-1-3-6-9/h1-2,9H,3-8H2,(H,12,15)
InChIKeyDNGWPMZQNMSVEV-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.16
Rot. Bonds5

About N-(3-azidopropyl)cyclohex-3-ene-1-carboxamide

N-(3-azidopropyl)cyclohex-3-ene-1-carboxamide (PubChem CID 61344357) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is N-(3-azidopropyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(3-azidopropyl)cyclohex-3-ene-1-carboxamide
PubChem CID61344357
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC NameN-(3-azidopropyl)cyclohex-3-ene-1-carboxamide
SMILES[N-]=[N+]=NCCCNC(=O)C1CC=CCC1
InChIInChI=1S/C10H16N4O/c11-14-13-8-4-7-12-10(15)9-5-2-1-3-6-9/h1-2,9H,3-8H2,(H,12,15)
InChIKeyDNGWPMZQNMSVEV-UHFFFAOYSA-N
XLogP2.16
TPSA77.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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'}

Analyze N-(3-azidopropyl)cyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-azidopropyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(3-azidopropyl)cyclohex-3-ene-1-carboxamide (CID 61344357) is N-(3-azidopropyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(3-azidopropyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(3-azidopropyl)cyclohex-3-ene-1-carboxamide is [N-]=[N+]=NCCCNC(=O)C1CC=CCC1.
What is the InChIKey of N-(3-azidopropyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is DNGWPMZQNMSVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-14-13-8-4-7-12-10(15)9-5-2-1-3-6-9/h1-2,9H,3-8H2,(H,12,15).
What are the key properties of N-(3-azidopropyl)cyclohex-3-ene-1-carboxamide?
N-(3-azidopropyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 208.26 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azidopropyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 61344357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).