1,2,2-trimethyl-3-(4-nitrophenyl)aziridine

C11H14N2O2 — CID 162398179

IUPAC1,2,2-trimethyl-3-(4-nitrophenyl)aziridine
SMILESCN1C(c2ccc([N+](=O)[O-])cc2)C1(C)C
InChIInChI=1S/C11H14N2O2/c1-11(2)10(12(11)3)8-4-6-9(7-5-8)13(14)15/h4-7,10H,1-3H3
InChIKeyKOIUDHIDQFSECF-UHFFFAOYSA-N
MW206.25 g/mol
LogP2.36
Rot. Bonds2

About 1,2,2-trimethyl-3-(4-nitrophenyl)aziridine

1,2,2-trimethyl-3-(4-nitrophenyl)aziridine (PubChem CID 162398179) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1,2,2-trimethyl-3-(4-nitrophenyl)aziridine.

Molecular Properties

Compound Name1,2,2-trimethyl-3-(4-nitrophenyl)aziridine
PubChem CID162398179
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1,2,2-trimethyl-3-(4-nitrophenyl)aziridine
SMILESCN1C(c2ccc([N+](=O)[O-])cc2)C1(C)C
InChIInChI=1S/C11H14N2O2/c1-11(2)10(12(11)3)8-4-6-9(7-5-8)13(14)15/h4-7,10H,1-3H3
InChIKeyKOIUDHIDQFSECF-UHFFFAOYSA-N
XLogP2.36
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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'}

Analyze 1,2,2-trimethyl-3-(4-nitrophenyl)aziridine 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

3-(4-methoxyphenyl)-1,2,2-trimethylaziridine
CID 162398178
1-[(1S,3S)-2,2-dibromo-3-methylcyclopropyl]-4-nitrobenzene
CID 914874
3,5,5-trimethyl-2-(4-nitrophenyl)-1,3-oxazinane
CID 23278525
2,6-dimethyl-4-(4-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxamide
CID 4111258
2,2-diethyl-3-(4-nitrophenyl)cyclobutan-1-one
CID 81416538
2,2,4-trimethyl-5-(4-nitrophenyl)-1,3-dioxolane
CID 131850091
trans-(1S,3S)-2,2-dimethyl-3-(4-nitrophenyl)cyclobutan-1-ol
CID 124512974
1-cyclopenta-2,4-dien-1-yl-4-nitrobenzene
CID 627934
(3S,4R)-3-methyl-4-(4-nitrophenyl)-1-propan-2-ylazetidin-2-one
CID 102274506
2-(4-nitrophenyl)-1,3-dioxepane
CID 12562261
5-(4-nitrophenyl)-5H-tetrazole
CID 174394321
1-methyl-4-[2-(4-nitrophenyl)cyclopropyl]piperazine
CID 175493858

Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-3-(4-nitrophenyl)aziridine?
The IUPAC name of 1,2,2-trimethyl-3-(4-nitrophenyl)aziridine (CID 162398179) is 1,2,2-trimethyl-3-(4-nitrophenyl)aziridine.
What is the SMILES notation for 1,2,2-trimethyl-3-(4-nitrophenyl)aziridine?
The canonical SMILES for 1,2,2-trimethyl-3-(4-nitrophenyl)aziridine is CN1C(c2ccc([N+](=O)[O-])cc2)C1(C)C.
What is the InChIKey of 1,2,2-trimethyl-3-(4-nitrophenyl)aziridine?
The InChIKey is KOIUDHIDQFSECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-11(2)10(12(11)3)8-4-6-9(7-5-8)13(14)15/h4-7,10H,1-3H3.
What are the key properties of 1,2,2-trimethyl-3-(4-nitrophenyl)aziridine?
1,2,2-trimethyl-3-(4-nitrophenyl)aziridine has a molecular weight of 206.25 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-3-(4-nitrophenyl)aziridine is sourced from PubChem (CID 162398179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).