2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine

C16H14N4O — CID 11076758

IUPAC2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine
SMILESNC(N)=N/N=c1\cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C16H14N4O/c17-16(18)20-19-13-10-15(11-6-2-1-3-7-11)21-14-9-5-4-8-12(13)14/h1-10H,(H4,17,18,20)/b19-13+
InChIKeyLUKICSHFFBLKPC-CPNJWEJPSA-N
MW278.32 g/mol
LogP2.19
Rot. Bonds2

About 2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine

2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine (PubChem CID 11076758) has the molecular formula C16H14N4O and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine
PubChem CID11076758
Molecular FormulaC16H14N4O
Molecular Weight278.32 g/mol
Exact Mass278.12
IUPAC Name2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine
SMILESNC(N)=N/N=c1\cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C16H14N4O/c17-16(18)20-19-13-10-15(11-6-2-1-3-7-11)21-14-9-5-4-8-12(13)14/h1-10H,(H4,17,18,20)/b19-13+
InChIKeyLUKICSHFFBLKPC-CPNJWEJPSA-N
XLogP2.19
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine?
The IUPAC name of 2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine (CID 11076758) is 2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine.
What is the SMILES notation for 2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine?
The canonical SMILES for 2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine is NC(N)=N/N=c1\cc(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine?
The InChIKey is LUKICSHFFBLKPC-CPNJWEJPSA-N. The full InChI is InChI=1S/C16H14N4O/c17-16(18)20-19-13-10-15(11-6-2-1-3-7-11)21-14-9-5-4-8-12(13)14/h1-10H,(H4,17,18,20)/b19-13+.
What are the key properties of 2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine?
2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine has a molecular weight of 278.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-phenylchromen-4-ylidene)amino]guanidine is sourced from PubChem (CID 11076758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).