1-ethyl-1-phenylaziridin-1-ium

C10H14N+ — CID 22352620

IUPAC1-ethyl-1-phenylaziridin-1-ium
SMILESCC[N+]1(c2ccccc2)CC1
InChIInChI=1S/C10H14N/c1-2-11(8-9-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3/q+1
InChIKeyTUOZVDHCKJRPCJ-UHFFFAOYSA-N
MW148.23 g/mol
LogP2.03
Rot. Bonds2

About 1-ethyl-1-phenylaziridin-1-ium

1-ethyl-1-phenylaziridin-1-ium (PubChem CID 22352620) has the molecular formula C10H14N+ and a molecular weight of 148.23 g/mol. Its IUPAC name is 1-ethyl-1-phenylaziridin-1-ium.

Molecular Properties

Compound Name1-ethyl-1-phenylaziridin-1-ium
PubChem CID22352620
Molecular FormulaC10H14N+
Molecular Weight148.23 g/mol
Exact Mass148.11
IUPAC Name1-ethyl-1-phenylaziridin-1-ium
SMILESCC[N+]1(c2ccccc2)CC1
InChIInChI=1S/C10H14N/c1-2-11(8-9-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3/q+1
InChIKeyTUOZVDHCKJRPCJ-UHFFFAOYSA-N
XLogP2.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-ethyl-1-phenylaziridin-1-ium 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

1-ethyl-1-phenylpyrrolidin-1-ium
CID 22761773
1-octadecyl-1-phenylpyrrolidin-1-ium
CID 69396150
1-benzyl-1-ethylaziridin-1-ium
CID 23618154
1-ethyl-1-(2-methoxyphenyl)piperidin-1-ium
CID 66669596
1-benzyl-1-(4-methylphenyl)piperidin-1-ium
CID 86588823
1-oxido-1-phenylpyrrolidin-1-ium
CID 20535655
chloro-diethyl-phenyl-λ5-phosphane;gold
CID 88815875
4-benzyl-1,1-diethylpiperazin-1-ium bromide
CID 139730663
4-[3-[3,5-dioxo-4-[(1-phenylpiperazin-1-ium-1-yl)methyl]piperazin-1-yl]butan-2-yl]-1-[(1-phenylpiperazin-1-ium-1-yl)methyl]piperazine-2,6-dione
CID 19843401
1-ethyl-4-fluoro-2,3-diphenyl-1,4-diazoniabicyclo[2.2.2]octane
CID 123973487
ethylcyclodecapentaene
CID 90861705
propane;toluene
CID 91364516

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-phenylaziridin-1-ium?
The IUPAC name of 1-ethyl-1-phenylaziridin-1-ium (CID 22352620) is 1-ethyl-1-phenylaziridin-1-ium.
What is the SMILES notation for 1-ethyl-1-phenylaziridin-1-ium?
The canonical SMILES for 1-ethyl-1-phenylaziridin-1-ium is CC[N+]1(c2ccccc2)CC1.
What is the InChIKey of 1-ethyl-1-phenylaziridin-1-ium?
The InChIKey is TUOZVDHCKJRPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N/c1-2-11(8-9-11)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3/q+1.
What are the key properties of 1-ethyl-1-phenylaziridin-1-ium?
1-ethyl-1-phenylaziridin-1-ium has a molecular weight of 148.23 g/mol, XLogP of 2.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-phenylaziridin-1-ium is sourced from PubChem (CID 22352620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).