1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine

C15H13N3O4 — CID 102373762

IUPAC1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine
SMILESCC1(c2ccccc2)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O4/c1-15(11-5-3-2-4-6-11)10-16(15)13-8-7-12(17(19)20)9-14(13)18(21)22/h2-9H,10H2,1H3
InChIKeyOWVGTQSQHKECEB-UHFFFAOYSA-N
MW299.29 g/mol
LogP3.24
Rot. Bonds4

About 1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine

1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine (PubChem CID 102373762) has the molecular formula C15H13N3O4 and a molecular weight of 299.29 g/mol. Its IUPAC name is 1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine.

Molecular Properties

Compound Name1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine
PubChem CID102373762
Molecular FormulaC15H13N3O4
Molecular Weight299.29 g/mol
Exact Mass299.09
IUPAC Name1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine
SMILESCC1(c2ccccc2)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C15H13N3O4/c1-15(11-5-3-2-4-6-11)10-16(15)13-8-7-12(17(19)20)9-14(13)18(21)22/h2-9H,10H2,1H3
InChIKeyOWVGTQSQHKECEB-UHFFFAOYSA-N
XLogP3.24
TPSA89.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2S)-1,2,3-trimethyl-5-nitro-2-phenylbenzimidazole
CID 7360618
1-(2,4-dinitrophenyl)-4-phenylazetidin-2-one
CID 102076312
1-(2,4-dinitrophenyl)azepane
CID 2731658
1-(2,4-dinitrophenyl)azocane
CID 9311675
1-(2,4-dinitrophenyl)-3-methylpiperidin-3-ol
CID 115871374
(3S,5S)-1-(2,4-dinitrophenyl)-3,5-dimethylpiperidine
CID 7275416
4-(2,4-dinitrophenyl)-2,2-diethyl-1,4-thiazinane 1-oxide
CID 133479761
2-(2,4-dinitrophenyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 10925945
1-(2,4-dinitrophenyl)-5-phenyl-3-(trifluoromethyl)pyrazole
CID 3857701
1-(4-methyl-6-nitro-4-phenyl-2,3-dihydroquinolin-1-yl)ethanone
CID 68676361
1-methyl-2,4-dinitrobenzene;1,2-xylene
CID 88735463
1-cyclohexyl-2-(2,4-dinitrophenyl)-3,3-dimethyldiaziridine
CID 134868283

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine?
The IUPAC name of 1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine (CID 102373762) is 1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine.
What is the SMILES notation for 1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine?
The canonical SMILES for 1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine is CC1(c2ccccc2)CN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of 1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine?
The InChIKey is OWVGTQSQHKECEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O4/c1-15(11-5-3-2-4-6-11)10-16(15)13-8-7-12(17(19)20)9-14(13)18(21)22/h2-9H,10H2,1H3.
What are the key properties of 1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine?
1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine has a molecular weight of 299.29 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dinitrophenyl)-2-methyl-2-phenylaziridine is sourced from PubChem (CID 102373762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).