2-nitro-4-pyrrolidin-1-ylphenol

C10H12N2O3 — CID 57325180

IUPAC2-nitro-4-pyrrolidin-1-ylphenol
SMILESO=[N+]([O-])c1cc(N2CCCC2)ccc1O
InChIInChI=1S/C10H12N2O3/c13-10-4-3-8(7-9(10)12(14)15)11-5-1-2-6-11/h3-4,7,13H,1-2,5-6H2
InChIKeySVXNFXVWKGWNIZ-UHFFFAOYSA-N
MW208.22 g/mol
LogP1.90
Rot. Bonds2

About 2-nitro-4-pyrrolidin-1-ylphenol

2-nitro-4-pyrrolidin-1-ylphenol (PubChem CID 57325180) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-nitro-4-pyrrolidin-1-ylphenol.

Molecular Properties

Compound Name2-nitro-4-pyrrolidin-1-ylphenol
PubChem CID57325180
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-nitro-4-pyrrolidin-1-ylphenol
SMILESO=[N+]([O-])c1cc(N2CCCC2)ccc1O
InChIInChI=1S/C10H12N2O3/c13-10-4-3-8(7-9(10)12(14)15)11-5-1-2-6-11/h3-4,7,13H,1-2,5-6H2
InChIKeySVXNFXVWKGWNIZ-UHFFFAOYSA-N
XLogP1.90
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
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

1-(3-methyl-4-nitrophenyl)azepane
CID 23103808
1-(4-ethenyl-3-nitrophenyl)piperidine
CID 67906048
3-bromo-1-(4-hydroxy-3-nitrophenyl)pyrrole-2,5-dione
CID 129207331
1-(4-hydroxy-3-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691750
4-(4-nitro-3-pyrrolidin-1-ylphenyl)piperazine-1-carboxylic acid
CID 166791983
2,4-di(piperidin-1-yl)phenol
CID 130450866
2-methyl-4-pyrrolidin-1-ylphenol;hydrobromide
CID 154577359
2-nitro-4-(4-pyrrolidin-1-ylpiperidin-1-yl)benzoic acid
CID 66736354
4-(azetidin-1-yl)-N-cyclobutyl-2-nitroaniline
CID 162531108
2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol
CID 135965167
1-(3-nitrophenyl)pyrrolidine
CID 698267
2-nitro-4-(piperidine-1-carboximidoyl)phenol
CID 135965160

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-pyrrolidin-1-ylphenol?
The IUPAC name of 2-nitro-4-pyrrolidin-1-ylphenol (CID 57325180) is 2-nitro-4-pyrrolidin-1-ylphenol.
What is the SMILES notation for 2-nitro-4-pyrrolidin-1-ylphenol?
The canonical SMILES for 2-nitro-4-pyrrolidin-1-ylphenol is O=[N+]([O-])c1cc(N2CCCC2)ccc1O.
What is the InChIKey of 2-nitro-4-pyrrolidin-1-ylphenol?
The InChIKey is SVXNFXVWKGWNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-10-4-3-8(7-9(10)12(14)15)11-5-1-2-6-11/h3-4,7,13H,1-2,5-6H2.
What are the key properties of 2-nitro-4-pyrrolidin-1-ylphenol?
2-nitro-4-pyrrolidin-1-ylphenol has a molecular weight of 208.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-pyrrolidin-1-ylphenol is sourced from PubChem (CID 57325180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).