2-methyl-2-(4-nitrophenyl)-1,3-oxazinane

C11H14N2O3 — CID 10398625

IUPAC2-methyl-2-(4-nitrophenyl)-1,3-oxazinane
SMILESCC1(c2ccc([N+](=O)[O-])cc2)NCCCO1
InChIInChI=1S/C11H14N2O3/c1-11(12-7-2-8-16-11)9-3-5-10(6-4-9)13(14)15/h3-6,12H,2,7-8H2,1H3
InChIKeySFUPJCCREYMKSG-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.78
Rot. Bonds2

About 2-methyl-2-(4-nitrophenyl)-1,3-oxazinane

2-methyl-2-(4-nitrophenyl)-1,3-oxazinane (PubChem CID 10398625) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-methyl-2-(4-nitrophenyl)-1,3-oxazinane.

Molecular Properties

Compound Name2-methyl-2-(4-nitrophenyl)-1,3-oxazinane
PubChem CID10398625
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-methyl-2-(4-nitrophenyl)-1,3-oxazinane
SMILESCC1(c2ccc([N+](=O)[O-])cc2)NCCCO1
InChIInChI=1S/C11H14N2O3/c1-11(12-7-2-8-16-11)9-3-5-10(6-4-9)13(14)15/h3-6,12H,2,7-8H2,1H3
InChIKeySFUPJCCREYMKSG-UHFFFAOYSA-N
XLogP1.78
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.78
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

chloromethane;2-(chloromethyl)-2-(4-nitrophenyl)-1,3-dioxolane
CID 143933657
2,4-dimethyl-2-(4-nitrophenyl)-1,3-dioxane
CID 12982692
2-methyl-2-[(4-nitrophenyl)methyl]-1,3-dioxolane
CID 14086865
[(2R)-2-(4-nitrophenyl)aziridin-2-yl]methanol
CID 142235254
1-[(1S)-2,2-dichloro-1-methylcyclopropyl]-4-nitrobenzene
CID 804648
ethane;5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 144913262
3-fluoro-3-(4-nitrophenyl)oxolane
CID 164678965
1-methyl-4-nitrobenzene;hydrofluoride
CID 174946488
3,3-bis(4-nitrophenyl)piperidine-2-carbaldehyde
CID 174734865
3-ethyl-3-(4-nitrophenyl)pyrrolidin-2-one
CID 118347838
1-nitro-4-(4-nitrophenyl)benzene;piperazine
CID 175101984
3,3-dimethyl-2-(4-methylphenoxy)-2-(4-nitrophenyl)oxetane
CID 14643508

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(4-nitrophenyl)-1,3-oxazinane?
The IUPAC name of 2-methyl-2-(4-nitrophenyl)-1,3-oxazinane (CID 10398625) is 2-methyl-2-(4-nitrophenyl)-1,3-oxazinane.
What is the SMILES notation for 2-methyl-2-(4-nitrophenyl)-1,3-oxazinane?
The canonical SMILES for 2-methyl-2-(4-nitrophenyl)-1,3-oxazinane is CC1(c2ccc([N+](=O)[O-])cc2)NCCCO1.
What is the InChIKey of 2-methyl-2-(4-nitrophenyl)-1,3-oxazinane?
The InChIKey is SFUPJCCREYMKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(12-7-2-8-16-11)9-3-5-10(6-4-9)13(14)15/h3-6,12H,2,7-8H2,1H3.
What are the key properties of 2-methyl-2-(4-nitrophenyl)-1,3-oxazinane?
2-methyl-2-(4-nitrophenyl)-1,3-oxazinane has a molecular weight of 222.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(4-nitrophenyl)-1,3-oxazinane is sourced from PubChem (CID 10398625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).