N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide

C12H14N2O5 — CID 103894364

IUPACN-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C12H14N2O5/c1-7-4-5-19-11(7)12(16)13-9-6-8(14(17)18)2-3-10(9)15/h2-3,6-7,11,15H,4-5H2,1H3,(H,13,16)
InChIKeyHIJATYWDVDQGJC-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.66
Rot. Bonds3

About N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide

N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide (PubChem CID 103894364) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide
PubChem CID103894364
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC NameN-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C12H14N2O5/c1-7-4-5-19-11(7)12(16)13-9-6-8(14(17)18)2-3-10(9)15/h2-3,6-7,11,15H,4-5H2,1H3,(H,13,16)
InChIKeyHIJATYWDVDQGJC-UHFFFAOYSA-N
XLogP1.66
TPSA101.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.66
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-hydroxy-5-nitrophenyl)oxane-4-carboxamide
CID 103604595
N-(2-hydroxy-5-nitrophenyl)cyclopentanecarboxamide
CID 103602349
N-(2-hydroxy-5-nitrophenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 5069648
N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide
CID 81468862
2-cyclopropyl-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 113347528
N-(2-hydroxy-5-nitrophenyl)azepane-2-carboxamide
CID 107744864
N-(2-hydroxy-5-nitrophenyl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 103894405
2-(cyclopropylamino)-N-(2-hydroxy-5-nitrophenyl)acetamide
CID 107744629
N-(2-hydroxy-4-nitrophenyl)oxane-2-carboxamide
CID 107745486
N-(2-hydroxy-5-nitrophenyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 103602356
1-N,4-N-bis(2-methyl-5-nitrophenyl)cyclohexane-1,4-dicarboxamide
CID 4927083
3-amino-N-(2-hydroxy-5-nitrophenyl)-2,2,3-trimethylbutanamide
CID 107744863

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide (CID 103894364) is N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide?
The InChIKey is HIJATYWDVDQGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-7-4-5-19-11(7)12(16)13-9-6-8(14(17)18)2-3-10(9)15/h2-3,6-7,11,15H,4-5H2,1H3,(H,13,16).
What are the key properties of N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide?
N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide has a molecular weight of 266.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 103894364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).