2-methyl-4-propoxypyrrolidine

C8H17NO — CID 102568596

IUPAC2-methyl-4-propoxypyrrolidine
SMILESCCCOC1CNC(C)C1
InChIInChI=1S/C8H17NO/c1-3-4-10-8-5-7(2)9-6-8/h7-9H,3-6H2,1-2H3
InChIKeyBBCCURHESBHBGA-UHFFFAOYSA-N
MW143.23 g/mol
LogP1.16
Rot. Bonds3

About 2-methyl-4-propoxypyrrolidine

2-methyl-4-propoxypyrrolidine (PubChem CID 102568596) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-methyl-4-propoxypyrrolidine.

Molecular Properties

Compound Name2-methyl-4-propoxypyrrolidine
PubChem CID102568596
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-methyl-4-propoxypyrrolidine
SMILESCCCOC1CNC(C)C1
InChIInChI=1S/C8H17NO/c1-3-4-10-8-5-7(2)9-6-8/h7-9H,3-6H2,1-2H3
InChIKeyBBCCURHESBHBGA-UHFFFAOYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propoxypyrrolidine?
The IUPAC name of 2-methyl-4-propoxypyrrolidine (CID 102568596) is 2-methyl-4-propoxypyrrolidine.
What is the SMILES notation for 2-methyl-4-propoxypyrrolidine?
The canonical SMILES for 2-methyl-4-propoxypyrrolidine is CCCOC1CNC(C)C1.
What is the InChIKey of 2-methyl-4-propoxypyrrolidine?
The InChIKey is BBCCURHESBHBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-4-10-8-5-7(2)9-6-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-methyl-4-propoxypyrrolidine?
2-methyl-4-propoxypyrrolidine has a molecular weight of 143.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propoxypyrrolidine is sourced from PubChem (CID 102568596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).