(2R)-1-(3-methoxypropyl)-2-methylpyrrolidine

C9H19NO — CID 67965896

IUPAC(2R)-1-(3-methoxypropyl)-2-methylpyrrolidine
SMILESCOCCCN1CCC[C@H]1C
InChIInChI=1S/C9H19NO/c1-9-5-3-6-10(9)7-4-8-11-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyXFRWYABJJJNFKX-SECBINFHSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds4

About (2R)-1-(3-methoxypropyl)-2-methylpyrrolidine

(2R)-1-(3-methoxypropyl)-2-methylpyrrolidine (PubChem CID 67965896) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2R)-1-(3-methoxypropyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-1-(3-methoxypropyl)-2-methylpyrrolidine
PubChem CID67965896
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2R)-1-(3-methoxypropyl)-2-methylpyrrolidine
SMILESCOCCCN1CCC[C@H]1C
InChIInChI=1S/C9H19NO/c1-9-5-3-6-10(9)7-4-8-11-2/h9H,3-8H2,1-2H3/t9-/m1/s1
InChIKeyXFRWYABJJJNFKX-SECBINFHSA-N
XLogP1.51
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 ≤ 51.51
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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Related Compounds

2,5-Dimethylpyrrolidine-1-propanol
CID 102712
3-(1,2,5-Trimethylpyrrolidin-1-ium-1-yl)propan-1-ol
CID 53427984
2-(Fluoromethyl)-1-[(3-methyloxetan-3-yl)methyl]pyrrolidine
CID 130949171
2-(Fluoromethyl)-1-(2-methoxyethyl)pyrrolidine
CID 131219739
1-(3-Methoxypropyl)pyrrolidine
CID 18727525
2-(2-Methoxyethyl)-1-methylpyrrolidine
CID 20609784
3-(2-Methylpyrrolidin-1-yl)propan-1-ol
CID 22401609
1-(1-Methoxyethyl)-1-methylpyrrolidin-1-ium
CID 23116069
1-(Ethoxymethyl)-1-propan-2-ylpyrrolidin-1-ium
CID 23116081
1-(Methoxymethyl)-1-propan-2-ylpyrrolidin-1-ium
CID 23116083
N-ethoxymethyl-N-isopropylpyrrolidinium chloride
CID 23116094
2-(2-Ethoxyethyl)-1-methylpyrrolidine
CID 54556004

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-methoxypropyl)-2-methylpyrrolidine?
The IUPAC name of (2R)-1-(3-methoxypropyl)-2-methylpyrrolidine (CID 67965896) is (2R)-1-(3-methoxypropyl)-2-methylpyrrolidine.
What is the SMILES notation for (2R)-1-(3-methoxypropyl)-2-methylpyrrolidine?
The canonical SMILES for (2R)-1-(3-methoxypropyl)-2-methylpyrrolidine is COCCCN1CCC[C@H]1C.
What is the InChIKey of (2R)-1-(3-methoxypropyl)-2-methylpyrrolidine?
The InChIKey is XFRWYABJJJNFKX-SECBINFHSA-N. The full InChI is InChI=1S/C9H19NO/c1-9-5-3-6-10(9)7-4-8-11-2/h9H,3-8H2,1-2H3/t9-/m1/s1.
What are the key properties of (2R)-1-(3-methoxypropyl)-2-methylpyrrolidine?
(2R)-1-(3-methoxypropyl)-2-methylpyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-methoxypropyl)-2-methylpyrrolidine is sourced from PubChem (CID 67965896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).