(3R)-3-ethenyl-1-methylpyrrolidine

C7H13N — CID 58057080

IUPAC(3R)-3-ethenyl-1-methylpyrrolidine
SMILESC=C[C@H]1CCN(C)C1
InChIInChI=1S/C7H13N/c1-3-7-4-5-8(2)6-7/h3,7H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyYMNFSKKORTUSOB-ZETCQYMHSA-N
MW111.19 g/mol
LogP1.12
Rot. Bonds1

About (3R)-3-ethenyl-1-methylpyrrolidine

(3R)-3-ethenyl-1-methylpyrrolidine (PubChem CID 58057080) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is (3R)-3-ethenyl-1-methylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-ethenyl-1-methylpyrrolidine
PubChem CID58057080
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name(3R)-3-ethenyl-1-methylpyrrolidine
SMILESC=C[C@H]1CCN(C)C1
InChIInChI=1S/C7H13N/c1-3-7-4-5-8(2)6-7/h3,7H,1,4-6H2,2H3/t7-/m0/s1
InChIKeyYMNFSKKORTUSOB-ZETCQYMHSA-N
XLogP1.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethenyl-1-methylpyrrolidine?
The IUPAC name of (3R)-3-ethenyl-1-methylpyrrolidine (CID 58057080) is (3R)-3-ethenyl-1-methylpyrrolidine.
What is the SMILES notation for (3R)-3-ethenyl-1-methylpyrrolidine?
The canonical SMILES for (3R)-3-ethenyl-1-methylpyrrolidine is C=C[C@H]1CCN(C)C1.
What is the InChIKey of (3R)-3-ethenyl-1-methylpyrrolidine?
The InChIKey is YMNFSKKORTUSOB-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13N/c1-3-7-4-5-8(2)6-7/h3,7H,1,4-6H2,2H3/t7-/m0/s1.
What are the key properties of (3R)-3-ethenyl-1-methylpyrrolidine?
(3R)-3-ethenyl-1-methylpyrrolidine has a molecular weight of 111.19 g/mol, XLogP of 1.12, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethenyl-1-methylpyrrolidine is sourced from PubChem (CID 58057080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).