5,5-dimethyl-2-(4-nitrophenyl)morpholine

C12H16N2O3 — CID 154639657

IUPAC5,5-dimethyl-2-(4-nitrophenyl)morpholine
SMILESCC1(C)COC(c2ccc([N+](=O)[O-])cc2)CN1
InChIInChI=1S/C12H16N2O3/c1-12(2)8-17-11(7-13-12)9-3-5-10(6-4-9)14(15)16/h3-6,11,13H,7-8H2,1-2H3
InChIKeyBHAHBNGWBADPPE-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.03
Rot. Bonds2

About 5,5-dimethyl-2-(4-nitrophenyl)morpholine

5,5-dimethyl-2-(4-nitrophenyl)morpholine (PubChem CID 154639657) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 5,5-dimethyl-2-(4-nitrophenyl)morpholine.

Molecular Properties

Compound Name5,5-dimethyl-2-(4-nitrophenyl)morpholine
PubChem CID154639657
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name5,5-dimethyl-2-(4-nitrophenyl)morpholine
SMILESCC1(C)COC(c2ccc([N+](=O)[O-])cc2)CN1
InChIInChI=1S/C12H16N2O3/c1-12(2)8-17-11(7-13-12)9-3-5-10(6-4-9)14(15)16/h3-6,11,13H,7-8H2,1-2H3
InChIKeyBHAHBNGWBADPPE-UHFFFAOYSA-N
XLogP2.03
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.03
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)-4,4-dimethyl-2-(4-nitrophenyl)-1,3-oxazolidin-3-ium
CID 7309008
(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
2-(4-nitrophenyl)-1,3-dioxepane
CID 12562261
[(2R,4R)-4-methyl-2-(4-nitrophenyl)-1,3-oxazolidin-4-yl]methanol
CID 102046369
(2R)-4-tert-butyl-2-(4-nitrophenyl)morpholine
CID 67353124
[(2S,5R)-2,5-bis(4-nitrophenyl)-3,4,5,6a-tetrahydro-2H-furo[2,3-b]furan-3a-yl]-tri(propan-2-yl)silane
CID 101227102
3,5,5-trimethyl-2-(4-nitrophenyl)-1,3-oxazinane
CID 23278525
N,N-dimethyl-4-[(2R,5R)-5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]aniline
CID 794908
(2S,4R)-4-fluoro-2-(4-nitrophenyl)oxane
CID 25058582
methyl (5S)-3-hydroxy-5-(4-nitrophenyl)dioxolane-3-carboxylate
CID 135000813
6-methyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one
CID 72760820
(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-2-(4-nitrophenyl)morpholine?
The IUPAC name of 5,5-dimethyl-2-(4-nitrophenyl)morpholine (CID 154639657) is 5,5-dimethyl-2-(4-nitrophenyl)morpholine.
What is the SMILES notation for 5,5-dimethyl-2-(4-nitrophenyl)morpholine?
The canonical SMILES for 5,5-dimethyl-2-(4-nitrophenyl)morpholine is CC1(C)COC(c2ccc([N+](=O)[O-])cc2)CN1.
What is the InChIKey of 5,5-dimethyl-2-(4-nitrophenyl)morpholine?
The InChIKey is BHAHBNGWBADPPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-12(2)8-17-11(7-13-12)9-3-5-10(6-4-9)14(15)16/h3-6,11,13H,7-8H2,1-2H3.
What are the key properties of 5,5-dimethyl-2-(4-nitrophenyl)morpholine?
5,5-dimethyl-2-(4-nitrophenyl)morpholine has a molecular weight of 236.27 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-2-(4-nitrophenyl)morpholine is sourced from PubChem (CID 154639657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).