(2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine

C12H15N — CID 101221832

IUPAC(2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine
SMILESC=C[C@H]1CN1[C@H](C)c1ccccc1
InChIInChI=1S/C12H15N/c1-3-12-9-13(12)10(2)11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3/t10-,12+,13?/m1/s1
InChIKeyOHXMCOMHGPGLDR-FVBASEICSA-N
MW173.26 g/mol
LogP2.62
Rot. Bonds3

About (2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine

(2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine (PubChem CID 101221832) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is (2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine.

Molecular Properties

Compound Name(2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine
PubChem CID101221832
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name(2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine
SMILESC=C[C@H]1CN1[C@H](C)c1ccccc1
InChIInChI=1S/C12H15N/c1-3-12-9-13(12)10(2)11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3/t10-,12+,13?/m1/s1
InChIKeyOHXMCOMHGPGLDR-FVBASEICSA-N
XLogP2.62
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine?
The IUPAC name of (2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine (CID 101221832) is (2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine.
What is the SMILES notation for (2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine?
The canonical SMILES for (2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine is C=C[C@H]1CN1[C@H](C)c1ccccc1.
What is the InChIKey of (2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine?
The InChIKey is OHXMCOMHGPGLDR-FVBASEICSA-N. The full InChI is InChI=1S/C12H15N/c1-3-12-9-13(12)10(2)11-7-5-4-6-8-11/h3-8,10,12H,1,9H2,2H3/t10-,12+,13?/m1/s1.
What are the key properties of (2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine?
(2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine has a molecular weight of 173.26 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethenyl-1-[(1R)-1-phenylethyl]aziridine is sourced from PubChem (CID 101221832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).