2-nitro-6-(propyliminomethyl)phenol

C10H12N2O3 — CID 136693324

IUPAC2-nitro-6-(propyliminomethyl)phenol
SMILESCCC/N=C/c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C10H12N2O3/c1-2-6-11-7-8-4-3-5-9(10(8)13)12(14)15/h3-5,7,13H,2,6H2,1H3/b11-7+
InChIKeyPBNKUNQGQAVZSH-YRNVUSSQSA-N
MW208.22 g/mol
LogP2.13
Rot. Bonds4

About 2-nitro-6-(propyliminomethyl)phenol

2-nitro-6-(propyliminomethyl)phenol (PubChem CID 136693324) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-nitro-6-(propyliminomethyl)phenol.

Molecular Properties

Compound Name2-nitro-6-(propyliminomethyl)phenol
PubChem CID136693324
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-nitro-6-(propyliminomethyl)phenol
SMILESCCC/N=C/c1cccc([N+](=O)[O-])c1O
InChIInChI=1S/C10H12N2O3/c1-2-6-11-7-8-4-3-5-9(10(8)13)12(14)15/h3-5,7,13H,2,6H2,1H3/b11-7+
InChIKeyPBNKUNQGQAVZSH-YRNVUSSQSA-N
XLogP2.13
TPSA75.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(methyliminomethyl)-6-nitrophenol
CID 4779353
4-hydroxy-3-nitro-5-(propyliminomethyl)benzenesulfonic acid
CID 136864442
2-[(4-ethoxyphenyl)iminomethyl]-6-nitrophenol
CID 3429052
2-[(4-methoxyphenyl)sulfonylmethyliminomethyl]-6-nitrophenol
CID 161415389
1-ethyl-3-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]thiourea
CID 137066759
2-nitro-6-[(4-nitrophenyl)iminomethyl]phenol
CID 5159990
2-nitro-6-[(4-pentylcyclohexyl)iminomethyl]phenol
CID 4044083
2-[(2,4-dimethylphenyl)iminomethyl]-6-nitrophenol
CID 137173262
2-chloroethanamine;2-nitrobenzaldehyde;1-(2-nitrophenyl)-N-propylmethanimine;hydrochloride;hydroiodide
CID 158258939
oxovanadium;bis(2-(propyliminomethyl)phenol)
CID 5242411
2-[3-(methylamino)prop-1-enyl]-6-nitrophenol
CID 169474040
2-[2,3-diamino-4-(2-hydroxy-3-nitrophenyl)buta-1,3-dienyl]-6-nitrophenol
CID 173446234

Frequently Asked Questions

What is the IUPAC name of 2-nitro-6-(propyliminomethyl)phenol?
The IUPAC name of 2-nitro-6-(propyliminomethyl)phenol (CID 136693324) is 2-nitro-6-(propyliminomethyl)phenol.
What is the SMILES notation for 2-nitro-6-(propyliminomethyl)phenol?
The canonical SMILES for 2-nitro-6-(propyliminomethyl)phenol is CCC/N=C/c1cccc([N+](=O)[O-])c1O.
What is the InChIKey of 2-nitro-6-(propyliminomethyl)phenol?
The InChIKey is PBNKUNQGQAVZSH-YRNVUSSQSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-2-6-11-7-8-4-3-5-9(10(8)13)12(14)15/h3-5,7,13H,2,6H2,1H3/b11-7+.
What are the key properties of 2-nitro-6-(propyliminomethyl)phenol?
2-nitro-6-(propyliminomethyl)phenol has a molecular weight of 208.22 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-6-(propyliminomethyl)phenol is sourced from PubChem (CID 136693324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).