(3S)-3-ethenoxy-1-methylpyrrolidine

C7H13NO — CID 59825161

IUPAC(3S)-3-ethenoxy-1-methylpyrrolidine
SMILESC=CO[C@H]1CCN(C)C1
InChIInChI=1S/C7H13NO/c1-3-9-7-4-5-8(2)6-7/h3,7H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyVVIZRMWSKIBVSP-ZETCQYMHSA-N
MW127.19 g/mol
LogP0.85
Rot. Bonds2

About (3S)-3-ethenoxy-1-methylpyrrolidine

(3S)-3-ethenoxy-1-methylpyrrolidine (PubChem CID 59825161) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (3S)-3-ethenoxy-1-methylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-ethenoxy-1-methylpyrrolidine
PubChem CID59825161
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(3S)-3-ethenoxy-1-methylpyrrolidine
SMILESC=CO[C@H]1CCN(C)C1
InChIInChI=1S/C7H13NO/c1-3-9-7-4-5-8(2)6-7/h3,7H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyVVIZRMWSKIBVSP-ZETCQYMHSA-N
XLogP0.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethenoxy-1-methylpyrrolidine?
The IUPAC name of (3S)-3-ethenoxy-1-methylpyrrolidine (CID 59825161) is (3S)-3-ethenoxy-1-methylpyrrolidine.
What is the SMILES notation for (3S)-3-ethenoxy-1-methylpyrrolidine?
The canonical SMILES for (3S)-3-ethenoxy-1-methylpyrrolidine is C=CO[C@H]1CCN(C)C1.
What is the InChIKey of (3S)-3-ethenoxy-1-methylpyrrolidine?
The InChIKey is VVIZRMWSKIBVSP-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO/c1-3-9-7-4-5-8(2)6-7/h3,7H,1,4-6H2,2H3/t7-/m0/s1.
What are the key properties of (3S)-3-ethenoxy-1-methylpyrrolidine?
(3S)-3-ethenoxy-1-methylpyrrolidine has a molecular weight of 127.19 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethenoxy-1-methylpyrrolidine is sourced from PubChem (CID 59825161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).