4-methoxy-2-methyl-1-propylpyrrolidine

C9H19NO — CID 59733967

IUPAC4-methoxy-2-methyl-1-propylpyrrolidine
SMILESCCCN1CC(OC)CC1C
InChIInChI=1S/C9H19NO/c1-4-5-10-7-9(11-3)6-8(10)2/h8-9H,4-7H2,1-3H3
InChIKeyCMHLDTIKULEONM-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds3

About 4-methoxy-2-methyl-1-propylpyrrolidine

4-methoxy-2-methyl-1-propylpyrrolidine (PubChem CID 59733967) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-propylpyrrolidine.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-propylpyrrolidine
PubChem CID59733967
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-methoxy-2-methyl-1-propylpyrrolidine
SMILESCCCN1CC(OC)CC1C
InChIInChI=1S/C9H19NO/c1-4-5-10-7-9(11-3)6-8(10)2/h8-9H,4-7H2,1-3H3
InChIKeyCMHLDTIKULEONM-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-propylpyrrolidine?
The IUPAC name of 4-methoxy-2-methyl-1-propylpyrrolidine (CID 59733967) is 4-methoxy-2-methyl-1-propylpyrrolidine.
What is the SMILES notation for 4-methoxy-2-methyl-1-propylpyrrolidine?
The canonical SMILES for 4-methoxy-2-methyl-1-propylpyrrolidine is CCCN1CC(OC)CC1C.
What is the InChIKey of 4-methoxy-2-methyl-1-propylpyrrolidine?
The InChIKey is CMHLDTIKULEONM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-5-10-7-9(11-3)6-8(10)2/h8-9H,4-7H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-propylpyrrolidine?
4-methoxy-2-methyl-1-propylpyrrolidine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-1-propylpyrrolidine is sourced from PubChem (CID 59733967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).