ethane;(2S)-2-phenylaziridine

C10H15N — CID 145185749

IUPACethane;(2S)-2-phenylaziridine
SMILESCC.c1ccc([C@H]2CN2)cc1
InChIInChI=1S/C8H9N.C2H6/c1-2-4-7(5-3-1)8-6-9-8;1-2/h1-5,8-9H,6H2;1-2H3/t8-;/m1./s1
InChIKeyOXPQEMWABIBMKD-DDWIOCJRSA-N
MW149.24 g/mol
LogP2.36
Rot. Bonds1

About ethane;(2S)-2-phenylaziridine

ethane;(2S)-2-phenylaziridine (PubChem CID 145185749) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is ethane;(2S)-2-phenylaziridine.

Molecular Properties

Compound Nameethane;(2S)-2-phenylaziridine
PubChem CID145185749
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Nameethane;(2S)-2-phenylaziridine
SMILESCC.c1ccc([C@H]2CN2)cc1
InChIInChI=1S/C8H9N.C2H6/c1-2-4-7(5-3-1)8-6-9-8;1-2/h1-5,8-9H,6H2;1-2H3/t8-;/m1./s1
InChIKeyOXPQEMWABIBMKD-DDWIOCJRSA-N
XLogP2.36
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2,5-diphenylpiperazine
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ethane;4-methyl-2-phenylpyrrolidine
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(2R,4R)-4-methyl-2-phenylpyrrolidine
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2-phenyl-1,4,7,10-tetrazacyclododecane
CID 10901007
5-phenylpyrrolidin-3-amine
CID 83854505
5-ethyl-2-phenylpiperidine
CID 164753658
(2S,5S)-1,2-dimethyl-5-phenylpiperazine
CID 96624962
1,4,7-trimethyl-2,5,8,11-tetraphenyl-1,4,7,10-tetrazacyclododecane
CID 139759933
(3R,5S)-5-phenylpyrrolidine-3-carbonitrile
CID 169170901
2-ethyl-5-phenyl-1,4-oxazepane
CID 83218632
(2R,5S)-1-cyclopropyl-2-methyl-5-phenylpiperazine
CID 169115914
4,4-difluoro-2-phenylpiperidine;ethane
CID 145285471

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-2-phenylaziridine?
The IUPAC name of ethane;(2S)-2-phenylaziridine (CID 145185749) is ethane;(2S)-2-phenylaziridine.
What is the SMILES notation for ethane;(2S)-2-phenylaziridine?
The canonical SMILES for ethane;(2S)-2-phenylaziridine is CC.c1ccc([C@H]2CN2)cc1.
What is the InChIKey of ethane;(2S)-2-phenylaziridine?
The InChIKey is OXPQEMWABIBMKD-DDWIOCJRSA-N. The full InChI is InChI=1S/C8H9N.C2H6/c1-2-4-7(5-3-1)8-6-9-8;1-2/h1-5,8-9H,6H2;1-2H3/t8-;/m1./s1.
What are the key properties of ethane;(2S)-2-phenylaziridine?
ethane;(2S)-2-phenylaziridine has a molecular weight of 149.24 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-2-phenylaziridine is sourced from PubChem (CID 145185749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).