2-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride

C16H17ClN4O — CID 45261328

IUPAC2-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C1\CC(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C16H16N4O.ClH/c17-16(18)20-19-13-10-15(11-6-2-1-3-7-11)21-14-9-5-4-8-12(13)14;/h1-9,15H,10H2,(H4,17,18,20);1H/b19-13+;
InChIKeyBZDMJGWPYOHPSR-XTWSRORZSA-N
MW316.79 g/mol
LogP2.61
Rot. Bonds2

About 2-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride

2-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride (PubChem CID 45261328) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride
PubChem CID45261328
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name2-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C1\CC(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C16H16N4O.ClH/c17-16(18)20-19-13-10-15(11-6-2-1-3-7-11)21-14-9-5-4-8-12(13)14;/h1-9,15H,10H2,(H4,17,18,20);1H/b19-13+;
InChIKeyBZDMJGWPYOHPSR-XTWSRORZSA-N
XLogP2.61
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.61
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-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride (CID 45261328) is 2-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride is Cl.NC(N)=N/N=C1\CC(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 2-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride?
The InChIKey is BZDMJGWPYOHPSR-XTWSRORZSA-N. The full InChI is InChI=1S/C16H16N4O.ClH/c17-16(18)20-19-13-10-15(11-6-2-1-3-7-11)21-14-9-5-4-8-12(13)14;/h1-9,15H,10H2,(H4,17,18,20);1H/b19-13+;.
What are the key properties of 2-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride?
2-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride has a molecular weight of 316.79 g/mol, XLogP of 2.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-phenyl-2,3-dihydrochromen-4-ylidene)amino]guanidine;hydrochloride is sourced from PubChem (CID 45261328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).