2-(2-oxochromen-3-yl)guanidine

C10H9N3O2 — CID 23371973

IUPAC2-(2-oxochromen-3-yl)guanidine
SMILESNC(N)=Nc1cc2ccccc2oc1=O
InChIInChI=1S/C10H9N3O2/c11-10(12)13-7-5-6-3-1-2-4-8(6)15-9(7)14/h1-5H,(H4,11,12,13)
InChIKeyHQSJISILSXXTIM-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.70
Rot. Bonds1

About 2-(2-oxochromen-3-yl)guanidine

2-(2-oxochromen-3-yl)guanidine (PubChem CID 23371973) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(2-oxochromen-3-yl)guanidine.

Molecular Properties

Compound Name2-(2-oxochromen-3-yl)guanidine
PubChem CID23371973
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name2-(2-oxochromen-3-yl)guanidine
SMILESNC(N)=Nc1cc2ccccc2oc1=O
InChIInChI=1S/C10H9N3O2/c11-10(12)13-7-5-6-3-1-2-4-8(6)15-9(7)14/h1-5H,(H4,11,12,13)
InChIKeyHQSJISILSXXTIM-UHFFFAOYSA-N
XLogP0.70
TPSA94.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-Acetamidocoumarin
CID 136620
Coumarin, 3,4-diamino-
CID 38046
3-Aminocoumarin
CID 74217
3-Nitrocoumarin
CID 2799766
3-amino-4-hydroxy-2H-chromen-2-one
CID 54679250
(Z)-2-(tert-butyl)-4-(2-methoxybenzylidene)oxazol-5(4H)-one
CID 18558861
3-(Dimethylamino)-2H-chromen-2-one
CID 367928
2-methylpropyl N-(2-oxochromen-3-yl)carbamate
CID 73353370
propan-2-yl N-(2-oxochromen-3-yl)carbamate
CID 72196362
N-(2-Oxo-2H-chromen-6-yl)guanidine
CID 415705
(4Z)-4-[(2-methoxyphenyl)methylene]-2-methyl-oxazol-5-one
CID 5387536
ethyl N-(2-oxochromen-3-yl)carbamate
CID 15184833

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxochromen-3-yl)guanidine?
The IUPAC name of 2-(2-oxochromen-3-yl)guanidine (CID 23371973) is 2-(2-oxochromen-3-yl)guanidine.
What is the SMILES notation for 2-(2-oxochromen-3-yl)guanidine?
The canonical SMILES for 2-(2-oxochromen-3-yl)guanidine is NC(N)=Nc1cc2ccccc2oc1=O.
What is the InChIKey of 2-(2-oxochromen-3-yl)guanidine?
The InChIKey is HQSJISILSXXTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-10(12)13-7-5-6-3-1-2-4-8(6)15-9(7)14/h1-5H,(H4,11,12,13).
What are the key properties of 2-(2-oxochromen-3-yl)guanidine?
2-(2-oxochromen-3-yl)guanidine has a molecular weight of 203.20 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxochromen-3-yl)guanidine is sourced from PubChem (CID 23371973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).