3-methoxy-1-(2-methylpropyl)pyrrolidine

C9H19NO — CID 20672248

IUPAC3-methoxy-1-(2-methylpropyl)pyrrolidine
SMILESCOC1CCN(CC(C)C)C1
InChIInChI=1S/C9H19NO/c1-8(2)6-10-5-4-9(7-10)11-3/h8-9H,4-7H2,1-3H3
InChIKeyCDXVHKIDQJEVNF-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.36
Rot. Bonds3

About 3-methoxy-1-(2-methylpropyl)pyrrolidine

3-methoxy-1-(2-methylpropyl)pyrrolidine (PubChem CID 20672248) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-methoxy-1-(2-methylpropyl)pyrrolidine.

Molecular Properties

Compound Name3-methoxy-1-(2-methylpropyl)pyrrolidine
PubChem CID20672248
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-methoxy-1-(2-methylpropyl)pyrrolidine
SMILESCOC1CCN(CC(C)C)C1
InChIInChI=1S/C9H19NO/c1-8(2)6-10-5-4-9(7-10)11-3/h8-9H,4-7H2,1-3H3
InChIKeyCDXVHKIDQJEVNF-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-methylpropyl)pyrrolidine?
The IUPAC name of 3-methoxy-1-(2-methylpropyl)pyrrolidine (CID 20672248) is 3-methoxy-1-(2-methylpropyl)pyrrolidine.
What is the SMILES notation for 3-methoxy-1-(2-methylpropyl)pyrrolidine?
The canonical SMILES for 3-methoxy-1-(2-methylpropyl)pyrrolidine is COC1CCN(CC(C)C)C1.
What is the InChIKey of 3-methoxy-1-(2-methylpropyl)pyrrolidine?
The InChIKey is CDXVHKIDQJEVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-8(2)6-10-5-4-9(7-10)11-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 3-methoxy-1-(2-methylpropyl)pyrrolidine?
3-methoxy-1-(2-methylpropyl)pyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-methylpropyl)pyrrolidine is sourced from PubChem (CID 20672248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).