[(2S)-1-azido-2-(methoxymethoxy)propyl]benzene

C11H15N3O2 — CID 138967940

IUPAC[(2S)-1-azido-2-(methoxymethoxy)propyl]benzene
SMILESCOCO[C@@H](C)C(N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C11H15N3O2/c1-9(16-8-15-2)11(13-14-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-,11?/m0/s1
InChIKeyUVCOYSINZTUITN-FTNKSUMCSA-N
MW221.26 g/mol
LogP3.05
Rot. Bonds6

About [(2S)-1-azido-2-(methoxymethoxy)propyl]benzene

[(2S)-1-azido-2-(methoxymethoxy)propyl]benzene (PubChem CID 138967940) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [(2S)-1-azido-2-(methoxymethoxy)propyl]benzene.

Molecular Properties

Compound Name[(2S)-1-azido-2-(methoxymethoxy)propyl]benzene
PubChem CID138967940
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[(2S)-1-azido-2-(methoxymethoxy)propyl]benzene
SMILESCOCO[C@@H](C)C(N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C11H15N3O2/c1-9(16-8-15-2)11(13-14-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-,11?/m0/s1
InChIKeyUVCOYSINZTUITN-FTNKSUMCSA-N
XLogP3.05
TPSA67.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-azido-2-(methoxymethoxy)propyl]benzene?
The IUPAC name of [(2S)-1-azido-2-(methoxymethoxy)propyl]benzene (CID 138967940) is [(2S)-1-azido-2-(methoxymethoxy)propyl]benzene.
What is the SMILES notation for [(2S)-1-azido-2-(methoxymethoxy)propyl]benzene?
The canonical SMILES for [(2S)-1-azido-2-(methoxymethoxy)propyl]benzene is COCO[C@@H](C)C(N=[N+]=[N-])c1ccccc1.
What is the InChIKey of [(2S)-1-azido-2-(methoxymethoxy)propyl]benzene?
The InChIKey is UVCOYSINZTUITN-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-9(16-8-15-2)11(13-14-12)10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-,11?/m0/s1.
What are the key properties of [(2S)-1-azido-2-(methoxymethoxy)propyl]benzene?
[(2S)-1-azido-2-(methoxymethoxy)propyl]benzene has a molecular weight of 221.26 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-azido-2-(methoxymethoxy)propyl]benzene is sourced from PubChem (CID 138967940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).