2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol

C11H13N3O3 — CID 135965167

IUPAC2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol
SMILES[H]/N=C(/c1ccc(O)c([N+](=O)[O-])c1)N1CCCC1
InChIInChI=1S/C11H13N3O3/c12-11(13-5-1-2-6-13)8-3-4-10(15)9(7-8)14(16)17/h3-4,7,12,15H,1-2,5-6H2/b12-11-
InChIKeyLWYZDKDMTRJJFO-QXMHVHEDSA-N
MW235.24 g/mol
LogP1.72
Rot. Bonds2

About 2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol

2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol (PubChem CID 135965167) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol.

Molecular Properties

Compound Name2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol
PubChem CID135965167
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol
SMILES[H]/N=C(/c1ccc(O)c([N+](=O)[O-])c1)N1CCCC1
InChIInChI=1S/C11H13N3O3/c12-11(13-5-1-2-6-13)8-3-4-10(15)9(7-8)14(16)17/h3-4,7,12,15H,1-2,5-6H2/b12-11-
InChIKeyLWYZDKDMTRJJFO-QXMHVHEDSA-N
XLogP1.72
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-nitro-4-(piperidine-1-carboximidoyl)phenol
CID 135965160
4-(4-methylpiperazine-1-carboximidoyl)-2-nitrophenol
CID 135965166
2-nitro-4-(pyrrolidine-1-carboximidoyl)aniline
CID 70556660
2-nitro-4-pyrrolidin-1-ylphenol
CID 57325180
azocan-1-yl-(3-hydroxy-4-nitrophenyl)methanone
CID 103604579
(3-chloro-4-fluorophenyl)-pyrrolidin-1-ylmethanimine
CID 63179175
(3-bromophenyl)-pyrrolidin-1-ylmethanimine
CID 62047755
2-(4-hydroxy-3-nitrophenyl)ethanimidamide
CID 151168662
(4-hydroxy-3-nitrophenyl)-piperidin-4-ylmethanone
CID 96827821
trihydroxy-(4-hydroxy-3-nitrobenzoyl)phosphanium
CID 57316858
azocan-1-yl-(4-fluoro-3-nitrophenyl)methanone
CID 43215748
(4-methoxyphenyl)-pyrrolidin-1-ylmethanimine
CID 11788947

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol?
The IUPAC name of 2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol (CID 135965167) is 2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol.
What is the SMILES notation for 2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol?
The canonical SMILES for 2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol is [H]/N=C(/c1ccc(O)c([N+](=O)[O-])c1)N1CCCC1.
What is the InChIKey of 2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol?
The InChIKey is LWYZDKDMTRJJFO-QXMHVHEDSA-N. The full InChI is InChI=1S/C11H13N3O3/c12-11(13-5-1-2-6-13)8-3-4-10(15)9(7-8)14(16)17/h3-4,7,12,15H,1-2,5-6H2/b12-11-.
What are the key properties of 2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol?
2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol has a molecular weight of 235.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4-(pyrrolidine-1-carboximidoyl)phenol is sourced from PubChem (CID 135965167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).