CID 136675857

C13H13AsN3 — CID 136675857

IUPAC—
SMILESCN(C)[C@]1(c2ccccc2)[As][C@H](C#N)[C@H]1C#N
InChIInChI=1S/C13H13AsN3/c1-17(2)13(10-6-4-3-5-7-10)11(8-15)12(9-16)14-13/h3-7,11-12H,1-2H3/t11-,12-,13+/m1/s1
InChIKeyWWSDLUJANYCZDH-UPJWGTAASA-N
MW286.19 g/mol
LogP1.57
Rot. Bonds2

About CID 136675857

CID 136675857 (PubChem CID 136675857) has the molecular formula C13H13AsN3 and a molecular weight of 286.19 g/mol.

Molecular Properties

Compound NameCID 136675857
PubChem CID136675857
Molecular FormulaC13H13AsN3
Molecular Weight286.19 g/mol
Exact Mass286.03
IUPAC Name—
SMILESCN(C)[C@]1(c2ccccc2)[As][C@H](C#N)[C@H]1C#N
InChIInChI=1S/C13H13AsN3/c1-17(2)13(10-6-4-3-5-7-10)11(8-15)12(9-16)14-13/h3-7,11-12H,1-2H3/t11-,12-,13+/m1/s1
InChIKeyWWSDLUJANYCZDH-UPJWGTAASA-N
XLogP1.57
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 22016377
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carbonitrile
CID 6427547
2-fluoro-2-phenylcyclopropane-1-carbonitrile
CID 102180676
(4S,5R)-5-methyl-2,2-diphenyl-1,3-dioxolane-4-carbonitrile
CID 71409766
4-phenylpentacyclo[6.4.0.02,5.03,7.04,6]dodeca-1(12),8,10-triene-9,12-dicarbonitrile
CID 102395953
(3R,5S)-4-methyl-2,6-dioxo-4-phenylpiperidine-3,5-dicarbonitrile
CID 51537056
1,3,10,12-tetraphenylpentacyclo[10.6.2.02,11.04,9.013,18]icosa-2,4,6,8,10,13,15,17-octaene-19,20-dicarbonitrile
CID 139244735
2,2-dimethyl-1-phenylcyclopropane-1-carbonitrile
CID 13227702
trans-(1S,2S)-2-(hydroxymethyl)-1-phenylcyclopropane-1-carbonitrile
CID 58725201
2-methyl-1-phenylcyclobutane-1-carbonitrile
CID 23294917
[(2S,3R)-2,3-dimethyl-1-phenylcyclopropyl]benzene
CID 100931572

Frequently Asked Questions

What is the IUPAC name of CID 136675857?
The IUPAC name of CID 136675857 (CID 136675857) is not available.
What is the SMILES notation for CID 136675857?
The canonical SMILES for CID 136675857 is CN(C)[C@]1(c2ccccc2)[As][C@H](C#N)[C@H]1C#N.
What is the InChIKey of CID 136675857?
The InChIKey is WWSDLUJANYCZDH-UPJWGTAASA-N. The full InChI is InChI=1S/C13H13AsN3/c1-17(2)13(10-6-4-3-5-7-10)11(8-15)12(9-16)14-13/h3-7,11-12H,1-2H3/t11-,12-,13+/m1/s1.
What are the key properties of CID 136675857?
CID 136675857 has a molecular weight of 286.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136675857 is sourced from PubChem (CID 136675857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).