N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide

C11H12N2O5 — CID 107681418

IUPACN-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])C1CCCO1
InChIInChI=1S/C11H12N2O5/c14-8-4-1-3-7(13(16)17)10(8)12-11(15)9-5-2-6-18-9/h1,3-4,9,14H,2,5-6H2,(H,12,15)
InChIKeyAJXZCSNFTXFDDN-UHFFFAOYSA-N
MW252.23 g/mol
LogP1.42
Rot. Bonds3

About N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide

N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide (PubChem CID 107681418) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide
PubChem CID107681418
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC NameN-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1c(O)cccc1[N+](=O)[O-])C1CCCO1
InChIInChI=1S/C11H12N2O5/c14-8-4-1-3-7(13(16)17)10(8)12-11(15)9-5-2-6-18-9/h1,3-4,9,14H,2,5-6H2,(H,12,15)
InChIKeyAJXZCSNFTXFDDN-UHFFFAOYSA-N
XLogP1.42
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', '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

N-(2-nitrophenyl)oxolane-2-carboxamide
CID 5093204
N-(2,6-dimethylphenyl)oxolane-2-carboxamide
CID 3155119
(2S)-N-[4-nitro-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7409203
N-(2-hydroxy-6-nitrophenyl)-1,1-dioxothiane-2-carboxamide
CID 107681277
N-(5-bromo-2-methyl-3-nitrophenyl)oxolane-2-carboxamide
CID 122148444
N-(3-hydroxy-2-methylphenyl)oxolane-2-carboxamide
CID 64793799
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide
CID 107745486
N-(2-hydroxy-6-nitrophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 107681222
N-(5-nitro-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 2948518
(2S)-N-[3-[[(3-nitro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 94825831
N-phenyloxolane-2-carboxamide
CID 3453643

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide (CID 107681418) is N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide is O=C(Nc1c(O)cccc1[N+](=O)[O-])C1CCCO1.
What is the InChIKey of N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide?
The InChIKey is AJXZCSNFTXFDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-8-4-1-3-7(13(16)17)10(8)12-11(15)9-5-2-6-18-9/h1,3-4,9,14H,2,5-6H2,(H,12,15).
What are the key properties of N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide?
N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide has a molecular weight of 252.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide is sourced from PubChem (CID 107681418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).