2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide

C10H16AsNO — CID 173263316

IUPAC2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide
SMILESCCCNC(=O)C1=C([AsH2])C=CCC1
InChIInChI=1S/C10H16AsNO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h4,6H,2-3,5,7,11H2,1H3,(H,12,13)
InChIKeyXZJLJSMFNGJECM-UHFFFAOYSA-N
MW241.17 g/mol
LogP0.75
Rot. Bonds3

About 2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide

2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 173263316) has the molecular formula C10H16AsNO and a molecular weight of 241.17 g/mol. Its IUPAC name is 2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide
PubChem CID173263316
Molecular FormulaC10H16AsNO
Molecular Weight241.17 g/mol
Exact Mass241.04
IUPAC Name2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide
SMILESCCCNC(=O)C1=C([AsH2])C=CCC1
InChIInChI=1S/C10H16AsNO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h4,6H,2-3,5,7,11H2,1H3,(H,12,13)
InChIKeyXZJLJSMFNGJECM-UHFFFAOYSA-N
XLogP0.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-arsanyl-N-propylcyclohexa-1,3-diene-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

Related Compounds

N-ethyl-2-fluorocyclohexa-1,3-diene-1-carboxamide
CID 121322277
N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide
CID 142335255
3,5-diamino-N-propylbenzamide
CID 20701636
1-hydroxy-2-oxo-N-propyl-3H-pyridin-1-ium-6-carboxamide
CID 171990203
5-hydroxy-1-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 15027317
1-N,3-N-bis(2-hydroxyethyl)-5-N-propylbenzene-1,3,5-tricarboxamide
CID 58035795
5-methyl-N-propylpyrazine-2-carboxamide
CID 60637750
N-propyl-6-[6-(propylcarbamoyl)-2-pyridinyl]pyridine-2-carboxamide
CID 10980324
ethane;propylcarbamic acid
CID 155733503
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
3,5-dichloro-N-propylbenzamide
CID 2767298
3-bromo-4-chloro-N-propylcyclohexa-1,3-diene-1-carboxamide
CID 163726394

Frequently Asked Questions

What is the IUPAC name of 2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide (CID 173263316) is 2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide is CCCNC(=O)C1=C([AsH2])C=CCC1.
What is the InChIKey of 2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is XZJLJSMFNGJECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16AsNO/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h4,6H,2-3,5,7,11H2,1H3,(H,12,13).
What are the key properties of 2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide?
2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 241.17 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-arsanyl-N-propylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 173263316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).