2-[(E)-(2-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine

C11H10ClN5O2 — CID 10356277

IUPAC2-[(E)-(2-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1c(N)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C11H10ClN5O2/c12-5-1-2-8-6(3-5)9(18)7(10(13)19-8)4-16-17-11(14)15/h1-4H,13H2,(H4,14,15,17)/b16-4+
InChIKeyHBRGTJVDLWHGEI-AYSLTRBKSA-N
MW279.69 g/mol
LogP0.64
Rot. Bonds2

About 2-[(E)-(2-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine

2-[(E)-(2-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine (PubChem CID 10356277) has the molecular formula C11H10ClN5O2 and a molecular weight of 279.69 g/mol. Its IUPAC name is 2-[(E)-(2-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-(2-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine
PubChem CID10356277
Molecular FormulaC11H10ClN5O2
Molecular Weight279.69 g/mol
Exact Mass279.05
IUPAC Name2-[(E)-(2-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine
SMILESNC(N)=N/N=C/c1c(N)oc2ccc(Cl)cc2c1=O
InChIInChI=1S/C11H10ClN5O2/c12-5-1-2-8-6(3-5)9(18)7(10(13)19-8)4-16-17-11(14)15/h1-4H,13H2,(H4,14,15,17)/b16-4+
InChIKeyHBRGTJVDLWHGEI-AYSLTRBKSA-N
XLogP0.64
TPSA132.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.69
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine?
The IUPAC name of 2-[(E)-(2-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine (CID 10356277) is 2-[(E)-(2-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-(2-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine?
The canonical SMILES for 2-[(E)-(2-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine is NC(N)=N/N=C/c1c(N)oc2ccc(Cl)cc2c1=O.
What is the InChIKey of 2-[(E)-(2-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine?
The InChIKey is HBRGTJVDLWHGEI-AYSLTRBKSA-N. The full InChI is InChI=1S/C11H10ClN5O2/c12-5-1-2-8-6(3-5)9(18)7(10(13)19-8)4-16-17-11(14)15/h1-4H,13H2,(H4,14,15,17)/b16-4+.
What are the key properties of 2-[(E)-(2-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine?
2-[(E)-(2-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine has a molecular weight of 279.69 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-amino-6-chloro-4-oxochromen-3-yl)methylideneamino]guanidine is sourced from PubChem (CID 10356277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).