1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea

C9H11N3O4 — CID 19818309

IUPAC1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C9H11N3O4/c1-10-9(14)11(2)7-4-3-6(12(15)16)5-8(7)13/h3-5,13H,1-2H3,(H,10,14)
InChIKeyJIYFRYIZMKDCPV-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.08
Rot. Bonds2

About 1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea

1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea (PubChem CID 19818309) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea.

Molecular Properties

Compound Name1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea
PubChem CID19818309
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea
SMILESCNC(=O)N(C)c1ccc([N+](=O)[O-])cc1O
InChIInChI=1S/C9H11N3O4/c1-10-9(14)11(2)7-4-3-6(12(15)16)5-8(7)13/h3-5,13H,1-2H3,(H,10,14)
InChIKeyJIYFRYIZMKDCPV-UHFFFAOYSA-N
XLogP1.08
TPSA95.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2,4-dinitrophenyl)-methylcarbamic acid
CID 163792600
N-decyl-N-(2-hydroxy-4-nitrophenyl)acetamide
CID 165349673
1-ethyl-3-(2-hydroxy-5-nitrophenyl)-1-methylurea
CID 107745893
ethane;2-hydroxy-4-nitrobenzoic acid
CID 143615987
N-[2-[formyl(methyl)amino]-4-nitrophenyl]-N-methylformamide
CID 2785508
1,1-bis(2-hydroxy-4-nitrophenyl)-3,3-bis(2-phenylphenyl)urea
CID 54359189
2-ethyl-5-nitrophenol
CID 18980077
2-bromo-5-nitrophenol;ethane
CID 177010307
N-methyl-2-[methyl(3-methylbutyl)amino]-5-nitrobenzamide
CID 87021168
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
N-methyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide
CID 26448032
2-(N-methyl-2,4-dinitroanilino)acetate
CID 7099160

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea?
The IUPAC name of 1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea (CID 19818309) is 1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea.
What is the SMILES notation for 1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea?
The canonical SMILES for 1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea is CNC(=O)N(C)c1ccc([N+](=O)[O-])cc1O.
What is the InChIKey of 1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea?
The InChIKey is JIYFRYIZMKDCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-10-9(14)11(2)7-4-3-6(12(15)16)5-8(7)13/h3-5,13H,1-2H3,(H,10,14).
What are the key properties of 1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea?
1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea has a molecular weight of 225.20 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-4-nitrophenyl)-1,3-dimethylurea is sourced from PubChem (CID 19818309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).