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

C11H12N2O4 — CID 5093204

IUPACN-(2-nitrophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])C1CCCO1
InChIInChI=1S/C11H12N2O4/c14-11(10-6-3-7-17-10)12-8-4-1-2-5-9(8)13(15)16/h1-2,4-5,10H,3,6-7H2,(H,12,14)
InChIKeyYQUUJHRDDQKBAI-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.71
Rot. Bonds3

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

N-(2-nitrophenyl)oxolane-2-carboxamide (PubChem CID 5093204) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is N-(2-nitrophenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-nitrophenyl)oxolane-2-carboxamide
PubChem CID5093204
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC NameN-(2-nitrophenyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccccc1[N+](=O)[O-])C1CCCO1
InChIInChI=1S/C11H12N2O4/c14-11(10-6-3-7-17-10)12-8-4-1-2-5-9(8)13(15)16/h1-2,4-5,10H,3,6-7H2,(H,12,14)
InChIKeyYQUUJHRDDQKBAI-UHFFFAOYSA-N
XLogP1.71
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.71
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

(2S)-N-[4-nitro-3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7409203
N-(2-hydroxy-6-nitrophenyl)oxolane-2-carboxamide
CID 107681418
N-(2-cyanophenyl)oxolane-2-carboxamide
CID 2948515
N-(2-phenylphenyl)oxolane-2-carboxamide
CID 2995133
N-(5-bromo-2-methyl-3-nitrophenyl)oxolane-2-carboxamide
CID 122148444
2-[2-[[(2S)-oxolane-2-carbonyl]amino]phenyl]acetic acid
CID 104855642
(2S)-N-(2-chloro-4-nitrophenyl)oxolane-2-carboxamide
CID 7306357
N-(2-fluoro-5-nitrophenyl)oxolane-2-carboxamide
CID 3283180
(2S)-N-(2-propan-2-ylphenyl)oxolane-2-carboxamide
CID 40532664
N-[2-[(2-aminoacetyl)amino]phenyl]oxolane-2-carboxamide
CID 82034964
N-phenyloxolane-2-carboxamide
CID 3453643
N-(2-bromophenyl)oxane-2-carboxamide
CID 62214619

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenyl)oxolane-2-carboxamide?
The IUPAC name of N-(2-nitrophenyl)oxolane-2-carboxamide (CID 5093204) is N-(2-nitrophenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(2-nitrophenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(2-nitrophenyl)oxolane-2-carboxamide is O=C(Nc1ccccc1[N+](=O)[O-])C1CCCO1.
What is the InChIKey of N-(2-nitrophenyl)oxolane-2-carboxamide?
The InChIKey is YQUUJHRDDQKBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-11(10-6-3-7-17-10)12-8-4-1-2-5-9(8)13(15)16/h1-2,4-5,10H,3,6-7H2,(H,12,14).
What are the key properties of N-(2-nitrophenyl)oxolane-2-carboxamide?
N-(2-nitrophenyl)oxolane-2-carboxamide has a molecular weight of 236.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenyl)oxolane-2-carboxamide is sourced from PubChem (CID 5093204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).