1,1'-biphenyl;cyanocarbamic acid

C14H12N2O2 — CID 19807445

IUPAC1,1'-biphenyl;cyanocarbamic acid
SMILESN#CNC(=O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H2N2O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-1-4-2(5)6/h1-10H;4H,(H,5,6)
InChIKeyWFPGPFFNVAEOQX-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.09
Rot. Bonds1

About 1,1'-biphenyl;cyanocarbamic acid

1,1'-biphenyl;cyanocarbamic acid (PubChem CID 19807445) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1,1'-biphenyl;cyanocarbamic acid.

Molecular Properties

Compound Name1,1'-biphenyl;cyanocarbamic acid
PubChem CID19807445
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1,1'-biphenyl;cyanocarbamic acid
SMILESN#CNC(=O)O.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H2N2O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-1-4-2(5)6/h1-10H;4H,(H,5,6)
InChIKeyWFPGPFFNVAEOQX-UHFFFAOYSA-N
XLogP3.09
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;cyanocarbamic acid?
The IUPAC name of 1,1'-biphenyl;cyanocarbamic acid (CID 19807445) is 1,1'-biphenyl;cyanocarbamic acid.
What is the SMILES notation for 1,1'-biphenyl;cyanocarbamic acid?
The canonical SMILES for 1,1'-biphenyl;cyanocarbamic acid is N#CNC(=O)O.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;cyanocarbamic acid?
The InChIKey is WFPGPFFNVAEOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C2H2N2O2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;3-1-4-2(5)6/h1-10H;4H,(H,5,6).
What are the key properties of 1,1'-biphenyl;cyanocarbamic acid?
1,1'-biphenyl;cyanocarbamic acid has a molecular weight of 240.26 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;cyanocarbamic acid is sourced from PubChem (CID 19807445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).