(2S)-2-[(1S)-1-azido-2-phenylethyl]oxirane

C10H11N3O — CID 10954320

IUPAC(2S)-2-[(1S)-1-azido-2-phenylethyl]oxirane
SMILES[N-]=[N+]=N[C@@H](Cc1ccccc1)[C@H]1CO1
InChIInChI=1S/C10H11N3O/c11-13-12-9(10-7-14-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10+/m0/s1
InChIKeyWUZNGAONCFFYFF-VHSXEESVSA-N
MW189.22 g/mol
LogP2.31
Rot. Bonds4

About (2S)-2-[(1S)-1-azido-2-phenylethyl]oxirane

(2S)-2-[(1S)-1-azido-2-phenylethyl]oxirane (PubChem CID 10954320) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is (2S)-2-[(1S)-1-azido-2-phenylethyl]oxirane.

Molecular Properties

Compound Name(2S)-2-[(1S)-1-azido-2-phenylethyl]oxirane
PubChem CID10954320
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name(2S)-2-[(1S)-1-azido-2-phenylethyl]oxirane
SMILES[N-]=[N+]=N[C@@H](Cc1ccccc1)[C@H]1CO1
InChIInChI=1S/C10H11N3O/c11-13-12-9(10-7-14-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10+/m0/s1
InChIKeyWUZNGAONCFFYFF-VHSXEESVSA-N
XLogP2.31
TPSA61.29 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', '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-[(1S)-1-azido-2-phenylethyl]oxirane?
The IUPAC name of (2S)-2-[(1S)-1-azido-2-phenylethyl]oxirane (CID 10954320) is (2S)-2-[(1S)-1-azido-2-phenylethyl]oxirane.
What is the SMILES notation for (2S)-2-[(1S)-1-azido-2-phenylethyl]oxirane?
The canonical SMILES for (2S)-2-[(1S)-1-azido-2-phenylethyl]oxirane is [N-]=[N+]=N[C@@H](Cc1ccccc1)[C@H]1CO1.
What is the InChIKey of (2S)-2-[(1S)-1-azido-2-phenylethyl]oxirane?
The InChIKey is WUZNGAONCFFYFF-VHSXEESVSA-N. The full InChI is InChI=1S/C10H11N3O/c11-13-12-9(10-7-14-10)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2/t9-,10+/m0/s1.
What are the key properties of (2S)-2-[(1S)-1-azido-2-phenylethyl]oxirane?
(2S)-2-[(1S)-1-azido-2-phenylethyl]oxirane has a molecular weight of 189.22 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1S)-1-azido-2-phenylethyl]oxirane is sourced from PubChem (CID 10954320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).