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

C9H19NO — CID 67965890

IUPAC(2S)-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-/m0/s1
InChIKeyXFRWYABJJJNFKX-VIFPVBQESA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds4

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

(2S)-1-(3-methoxypropyl)-2-methylpyrrolidine (PubChem CID 67965890) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S)-1-(3-methoxypropyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-1-(3-methoxypropyl)-2-methylpyrrolidine
PubChem CID67965890
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S)-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-/m0/s1
InChIKeyXFRWYABJJJNFKX-VIFPVBQESA-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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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-methoxypropyl)-2-methylpyrrolidine?
The IUPAC name of (2S)-1-(3-methoxypropyl)-2-methylpyrrolidine (CID 67965890) is (2S)-1-(3-methoxypropyl)-2-methylpyrrolidine.
What is the SMILES notation for (2S)-1-(3-methoxypropyl)-2-methylpyrrolidine?
The canonical SMILES for (2S)-1-(3-methoxypropyl)-2-methylpyrrolidine is COCCCN1CCC[C@@H]1C.
What is the InChIKey of (2S)-1-(3-methoxypropyl)-2-methylpyrrolidine?
The InChIKey is XFRWYABJJJNFKX-VIFPVBQESA-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-/m0/s1.
What are the key properties of (2S)-1-(3-methoxypropyl)-2-methylpyrrolidine?
(2S)-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 (2S)-1-(3-methoxypropyl)-2-methylpyrrolidine is sourced from PubChem (CID 67965890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).