(2S)-2-(3-azidoprop-1-enyl)-4-methoxy-1-methylpyrrolidine

C9H16N4O — CID 54408675

IUPAC(2S)-2-(3-azidoprop-1-enyl)-4-methoxy-1-methylpyrrolidine
SMILESCOC1C[C@@H](C=CCN=[N+]=[N-])N(C)C1
InChIInChI=1S/C9H16N4O/c1-13-7-9(14-2)6-8(13)4-3-5-11-12-10/h3-4,8-9H,5-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyVSOBHQJVSJBSKZ-VEDVMXKPSA-N
MW196.25 g/mol
LogP1.57
Rot. Bonds4

About (2S)-2-(3-azidoprop-1-enyl)-4-methoxy-1-methylpyrrolidine

(2S)-2-(3-azidoprop-1-enyl)-4-methoxy-1-methylpyrrolidine (PubChem CID 54408675) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S)-2-(3-azidoprop-1-enyl)-4-methoxy-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-(3-azidoprop-1-enyl)-4-methoxy-1-methylpyrrolidine
PubChem CID54408675
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name(2S)-2-(3-azidoprop-1-enyl)-4-methoxy-1-methylpyrrolidine
SMILESCOC1C[C@@H](C=CCN=[N+]=[N-])N(C)C1
InChIInChI=1S/C9H16N4O/c1-13-7-9(14-2)6-8(13)4-3-5-11-12-10/h3-4,8-9H,5-7H2,1-2H3/t8-,9?/m1/s1
InChIKeyVSOBHQJVSJBSKZ-VEDVMXKPSA-N
XLogP1.57
TPSA61.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.57
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': 'isolated_alkene', '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)-2-(3-azidoprop-1-enyl)-4-methoxy-1-methylpyrrolidine?
The IUPAC name of (2S)-2-(3-azidoprop-1-enyl)-4-methoxy-1-methylpyrrolidine (CID 54408675) is (2S)-2-(3-azidoprop-1-enyl)-4-methoxy-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-(3-azidoprop-1-enyl)-4-methoxy-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-(3-azidoprop-1-enyl)-4-methoxy-1-methylpyrrolidine is COC1C[C@@H](C=CCN=[N+]=[N-])N(C)C1.
What is the InChIKey of (2S)-2-(3-azidoprop-1-enyl)-4-methoxy-1-methylpyrrolidine?
The InChIKey is VSOBHQJVSJBSKZ-VEDVMXKPSA-N. The full InChI is InChI=1S/C9H16N4O/c1-13-7-9(14-2)6-8(13)4-3-5-11-12-10/h3-4,8-9H,5-7H2,1-2H3/t8-,9?/m1/s1.
What are the key properties of (2S)-2-(3-azidoprop-1-enyl)-4-methoxy-1-methylpyrrolidine?
(2S)-2-(3-azidoprop-1-enyl)-4-methoxy-1-methylpyrrolidine has a molecular weight of 196.25 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-azidoprop-1-enyl)-4-methoxy-1-methylpyrrolidine is sourced from PubChem (CID 54408675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).