(4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride

C10H11ClN2O4 — CID 171184830

IUPAC(4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccccc2[N+](=O)[O-])CCO1
InChIInChI=1S/C10H10N2O4.ClH/c13-10-11-8(5-6-16-10)7-3-1-2-4-9(7)12(14)15;/h1-4,8H,5-6H2,(H,11,13);1H/t8-;/m1./s1
InChIKeyAOKSVINBWZGOMQ-DDWIOCJRSA-N
MW258.66 g/mol
LogP2.19
Rot. Bonds2

About (4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride

(4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride (PubChem CID 171184830) has the molecular formula C10H11ClN2O4 and a molecular weight of 258.66 g/mol. Its IUPAC name is (4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride.

Molecular Properties

Compound Name(4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
PubChem CID171184830
Molecular FormulaC10H11ClN2O4
Molecular Weight258.66 g/mol
Exact Mass258.04
IUPAC Name(4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
SMILESCl.O=C1N[C@@H](c2ccccc2[N+](=O)[O-])CCO1
InChIInChI=1S/C10H10N2O4.ClH/c13-10-11-8(5-6-16-10)7-3-1-2-4-9(7)12(14)15;/h1-4,8H,5-6H2,(H,11,13);1H/t8-;/m1./s1
InChIKeyAOKSVINBWZGOMQ-DDWIOCJRSA-N
XLogP2.19
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.66
LogP ≤ 52.19
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'}

Analyze (4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-4-(2-nitrophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183708
(4S)-4-(5-hydroxy-2-nitrophenyl)-1,3-oxazinan-2-one
CID 171185742
(4S)-4-(2-hydroxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185519
(4R)-4-(2-bromophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184817
(4R)-4-(2-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171184835
(4S)-4-(4,5-dimethoxy-2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185934
(4S)-4-(2-bromophenyl)-1,3-oxazinan-2-one
CID 131017344
(4R)-4-(2-chloro-5-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185134
(4S)-4-(2-chloro-5-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185722
6-(2-nitrophenyl)-1,3-diazinane-2,4-dione
CID 3883733
(4S)-4-(2-methoxyphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185520
(4S)-4-(2-tert-butylsulfanylphenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185965

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride?
The IUPAC name of (4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride (CID 171184830) is (4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride.
What is the SMILES notation for (4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride?
The canonical SMILES for (4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride is Cl.O=C1N[C@@H](c2ccccc2[N+](=O)[O-])CCO1.
What is the InChIKey of (4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride?
The InChIKey is AOKSVINBWZGOMQ-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H10N2O4.ClH/c13-10-11-8(5-6-16-10)7-3-1-2-4-9(7)12(14)15;/h1-4,8H,5-6H2,(H,11,13);1H/t8-;/m1./s1.
What are the key properties of (4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride?
(4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride has a molecular weight of 258.66 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2-nitrophenyl)-1,3-oxazinan-2-one;hydrochloride is sourced from PubChem (CID 171184830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).