cyanic acid;bis(cyclopenta-1,3-diene);phenol

C17H19NO2 — CID 66924531

IUPACcyanic acid;bis(cyclopenta-1,3-diene);phenol
SMILESC1=CCC=C1.C1=CCC=C1.N#CO.Oc1ccccc1
InChIInChI=1S/C6H6O.2C5H6.CHNO/c7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;2-1-3/h1-5,7H;2*1-4H,5H2;3H
InChIKeyBPKZHJBJECAAOB-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.24
Rot. Bonds

About cyanic acid;bis(cyclopenta-1,3-diene);phenol

cyanic acid;bis(cyclopenta-1,3-diene);phenol (PubChem CID 66924531) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is cyanic acid;bis(cyclopenta-1,3-diene);phenol.

Molecular Properties

Compound Namecyanic acid;bis(cyclopenta-1,3-diene);phenol
PubChem CID66924531
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Namecyanic acid;bis(cyclopenta-1,3-diene);phenol
SMILESC1=CCC=C1.C1=CCC=C1.N#CO.Oc1ccccc1
InChIInChI=1S/C6H6O.2C5H6.CHNO/c7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;2-1-3/h1-5,7H;2*1-4H,5H2;3H
InChIKeyBPKZHJBJECAAOB-UHFFFAOYSA-N
XLogP4.24
TPSA64.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyanic acid;bis(cyclopenta-1,3-diene);phenol?
The IUPAC name of cyanic acid;bis(cyclopenta-1,3-diene);phenol (CID 66924531) is cyanic acid;bis(cyclopenta-1,3-diene);phenol.
What is the SMILES notation for cyanic acid;bis(cyclopenta-1,3-diene);phenol?
The canonical SMILES for cyanic acid;bis(cyclopenta-1,3-diene);phenol is C1=CCC=C1.C1=CCC=C1.N#CO.Oc1ccccc1.
What is the InChIKey of cyanic acid;bis(cyclopenta-1,3-diene);phenol?
The InChIKey is BPKZHJBJECAAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.2C5H6.CHNO/c7-6-4-2-1-3-5-6;2*1-2-4-5-3-1;2-1-3/h1-5,7H;2*1-4H,5H2;3H.
What are the key properties of cyanic acid;bis(cyclopenta-1,3-diene);phenol?
cyanic acid;bis(cyclopenta-1,3-diene);phenol has a molecular weight of 269.34 g/mol, XLogP of 4.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanic acid;bis(cyclopenta-1,3-diene);phenol is sourced from PubChem (CID 66924531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).