(2R)-1-methyl-2-(propa-1,2-dienoxymethyl)pyrrolidine

C9H15NO — CID 11030032

IUPAC(2R)-1-methyl-2-(propa-1,2-dienoxymethyl)pyrrolidine
SMILESC=C=COC[C@H]1CCCN1C
InChIInChI=1S/C9H15NO/c1-3-7-11-8-9-5-4-6-10(9)2/h7,9H,1,4-6,8H2,2H3/t9-/m1/s1
InChIKeyAJDXDCIOIMVXDG-SECBINFHSA-N
MW153.22 g/mol
LogP1.40
Rot. Bonds3

About (2R)-1-methyl-2-(propa-1,2-dienoxymethyl)pyrrolidine

(2R)-1-methyl-2-(propa-1,2-dienoxymethyl)pyrrolidine (PubChem CID 11030032) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2R)-1-methyl-2-(propa-1,2-dienoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-methyl-2-(propa-1,2-dienoxymethyl)pyrrolidine
PubChem CID11030032
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2R)-1-methyl-2-(propa-1,2-dienoxymethyl)pyrrolidine
SMILESC=C=COC[C@H]1CCCN1C
InChIInChI=1S/C9H15NO/c1-3-7-11-8-9-5-4-6-10(9)2/h7,9H,1,4-6,8H2,2H3/t9-/m1/s1
InChIKeyAJDXDCIOIMVXDG-SECBINFHSA-N
XLogP1.40
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.40
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 (2R)-1-methyl-2-(propa-1,2-dienoxymethyl)pyrrolidine?
The IUPAC name of (2R)-1-methyl-2-(propa-1,2-dienoxymethyl)pyrrolidine (CID 11030032) is (2R)-1-methyl-2-(propa-1,2-dienoxymethyl)pyrrolidine.
What is the SMILES notation for (2R)-1-methyl-2-(propa-1,2-dienoxymethyl)pyrrolidine?
The canonical SMILES for (2R)-1-methyl-2-(propa-1,2-dienoxymethyl)pyrrolidine is C=C=COC[C@H]1CCCN1C.
What is the InChIKey of (2R)-1-methyl-2-(propa-1,2-dienoxymethyl)pyrrolidine?
The InChIKey is AJDXDCIOIMVXDG-SECBINFHSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-7-11-8-9-5-4-6-10(9)2/h7,9H,1,4-6,8H2,2H3/t9-/m1/s1.
What are the key properties of (2R)-1-methyl-2-(propa-1,2-dienoxymethyl)pyrrolidine?
(2R)-1-methyl-2-(propa-1,2-dienoxymethyl)pyrrolidine has a molecular weight of 153.22 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-methyl-2-(propa-1,2-dienoxymethyl)pyrrolidine is sourced from PubChem (CID 11030032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).