N-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide

C12H16N2O2 — CID 91408859

IUPACN-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide
SMILESO=C(NC(=O)C1CCC1)NC1C=CCC=C1
InChIInChI=1S/C12H16N2O2/c15-11(9-5-4-6-9)14-12(16)13-10-7-2-1-3-8-10/h2-3,7-10H,1,4-6H2,(H2,13,14,15,16)
InChIKeyCQEXKRYWFFZOLG-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.50
Rot. Bonds2

About N-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide

N-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide (PubChem CID 91408859) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is N-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide
PubChem CID91408859
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC NameN-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide
SMILESO=C(NC(=O)C1CCC1)NC1C=CCC=C1
InChIInChI=1S/C12H16N2O2/c15-11(9-5-4-6-9)14-12(16)13-10-7-2-1-3-8-10/h2-3,7-10H,1,4-6H2,(H2,13,14,15,16)
InChIKeyCQEXKRYWFFZOLG-UHFFFAOYSA-N
XLogP1.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide 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-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide?
The IUPAC name of N-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide (CID 91408859) is N-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide.
What is the SMILES notation for N-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide?
The canonical SMILES for N-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide is O=C(NC(=O)C1CCC1)NC1C=CCC=C1.
What is the InChIKey of N-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide?
The InChIKey is CQEXKRYWFFZOLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11(9-5-4-6-9)14-12(16)13-10-7-2-1-3-8-10/h2-3,7-10H,1,4-6H2,(H2,13,14,15,16).
What are the key properties of N-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide?
N-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide has a molecular weight of 220.27 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-2,5-dien-1-ylcarbamoyl)cyclobutanecarboxamide is sourced from PubChem (CID 91408859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).