1-butan-2-yl-3-methoxypyrrolidine

C9H19NO — CID 146427472

IUPAC1-butan-2-yl-3-methoxypyrrolidine
SMILESCCC(C)N1CCC(OC)C1
InChIInChI=1S/C9H19NO/c1-4-8(2)10-6-5-9(7-10)11-3/h8-9H,4-7H2,1-3H3
InChIKeyOKBARXXWUPXEMX-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds3

About 1-butan-2-yl-3-methoxypyrrolidine

1-butan-2-yl-3-methoxypyrrolidine (PubChem CID 146427472) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-butan-2-yl-3-methoxypyrrolidine.

Molecular Properties

Compound Name1-butan-2-yl-3-methoxypyrrolidine
PubChem CID146427472
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-butan-2-yl-3-methoxypyrrolidine
SMILESCCC(C)N1CCC(OC)C1
InChIInChI=1S/C9H19NO/c1-4-8(2)10-6-5-9(7-10)11-3/h8-9H,4-7H2,1-3H3
InChIKeyOKBARXXWUPXEMX-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 1-butan-2-yl-3-methoxypyrrolidine?
The IUPAC name of 1-butan-2-yl-3-methoxypyrrolidine (CID 146427472) is 1-butan-2-yl-3-methoxypyrrolidine.
What is the SMILES notation for 1-butan-2-yl-3-methoxypyrrolidine?
The canonical SMILES for 1-butan-2-yl-3-methoxypyrrolidine is CCC(C)N1CCC(OC)C1.
What is the InChIKey of 1-butan-2-yl-3-methoxypyrrolidine?
The InChIKey is OKBARXXWUPXEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-8(2)10-6-5-9(7-10)11-3/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-butan-2-yl-3-methoxypyrrolidine?
1-butan-2-yl-3-methoxypyrrolidine 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 1-butan-2-yl-3-methoxypyrrolidine is sourced from PubChem (CID 146427472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).