(3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine

C10H19NO2 — CID 178107990

IUPAC(3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine
SMILESC=C(CCO[C@@H]1CCN(C)C1)OC
InChIInChI=1S/C10H19NO2/c1-9(12-3)5-7-13-10-4-6-11(2)8-10/h10H,1,4-8H2,2-3H3/t10-/m1/s1
InChIKeyCVHKLPHJMMTDIS-SNVBAGLBSA-N
MW185.27 g/mol
LogP1.26
Rot. Bonds5

About (3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine

(3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine (PubChem CID 178107990) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine.

Molecular Properties

Compound Name(3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine
PubChem CID178107990
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine
SMILESC=C(CCO[C@@H]1CCN(C)C1)OC
InChIInChI=1S/C10H19NO2/c1-9(12-3)5-7-13-10-4-6-11(2)8-10/h10H,1,4-8H2,2-3H3/t10-/m1/s1
InChIKeyCVHKLPHJMMTDIS-SNVBAGLBSA-N
XLogP1.26
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine?
The IUPAC name of (3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine (CID 178107990) is (3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine.
What is the SMILES notation for (3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine?
The canonical SMILES for (3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine is C=C(CCO[C@@H]1CCN(C)C1)OC.
What is the InChIKey of (3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine?
The InChIKey is CVHKLPHJMMTDIS-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(12-3)5-7-13-10-4-6-11(2)8-10/h10H,1,4-8H2,2-3H3/t10-/m1/s1.
What are the key properties of (3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine?
(3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine has a molecular weight of 185.27 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methoxybut-3-enoxy)-1-methylpyrrolidine is sourced from PubChem (CID 178107990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).