(3R)-1-methyl-3-(propoxymethyl)pyrrolidine

C9H19NO — CID 58134392

IUPAC(3R)-1-methyl-3-(propoxymethyl)pyrrolidine
SMILESCCCOC[C@@H]1CCN(C)C1
InChIInChI=1S/C9H19NO/c1-3-6-11-8-9-4-5-10(2)7-9/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyCZKHWASBGBELSL-SECBINFHSA-N
MW157.26 g/mol
LogP1.36
Rot. Bonds4

About (3R)-1-methyl-3-(propoxymethyl)pyrrolidine

(3R)-1-methyl-3-(propoxymethyl)pyrrolidine (PubChem CID 58134392) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3R)-1-methyl-3-(propoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-1-methyl-3-(propoxymethyl)pyrrolidine
PubChem CID58134392
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3R)-1-methyl-3-(propoxymethyl)pyrrolidine
SMILESCCCOC[C@@H]1CCN(C)C1
InChIInChI=1S/C9H19NO/c1-3-6-11-8-9-4-5-10(2)7-9/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyCZKHWASBGBELSL-SECBINFHSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-3-(propoxymethyl)pyrrolidine?
The IUPAC name of (3R)-1-methyl-3-(propoxymethyl)pyrrolidine (CID 58134392) is (3R)-1-methyl-3-(propoxymethyl)pyrrolidine.
What is the SMILES notation for (3R)-1-methyl-3-(propoxymethyl)pyrrolidine?
The canonical SMILES for (3R)-1-methyl-3-(propoxymethyl)pyrrolidine is CCCOC[C@@H]1CCN(C)C1.
What is the InChIKey of (3R)-1-methyl-3-(propoxymethyl)pyrrolidine?
The InChIKey is CZKHWASBGBELSL-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-6-11-8-9-4-5-10(2)7-9/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (3R)-1-methyl-3-(propoxymethyl)pyrrolidine?
(3R)-1-methyl-3-(propoxymethyl)pyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-3-(propoxymethyl)pyrrolidine is sourced from PubChem (CID 58134392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).