3-butyl-1-methylpyrrolidin-3-ol

C9H19NO — CID 65146565

IUPAC3-butyl-1-methylpyrrolidin-3-ol
SMILESCCCCC1(O)CCN(C)C1
InChIInChI=1S/C9H19NO/c1-3-4-5-9(11)6-7-10(2)8-9/h11H,3-8H2,1-2H3
InChIKeyTUKUCRHVUDYOAC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds3

About 3-butyl-1-methylpyrrolidin-3-ol

3-butyl-1-methylpyrrolidin-3-ol (PubChem CID 65146565) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 3-butyl-1-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name3-butyl-1-methylpyrrolidin-3-ol
PubChem CID65146565
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name3-butyl-1-methylpyrrolidin-3-ol
SMILESCCCCC1(O)CCN(C)C1
InChIInChI=1S/C9H19NO/c1-3-4-5-9(11)6-7-10(2)8-9/h11H,3-8H2,1-2H3
InChIKeyTUKUCRHVUDYOAC-UHFFFAOYSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-methylpyrrolidin-3-ol?
The IUPAC name of 3-butyl-1-methylpyrrolidin-3-ol (CID 65146565) is 3-butyl-1-methylpyrrolidin-3-ol.
What is the SMILES notation for 3-butyl-1-methylpyrrolidin-3-ol?
The canonical SMILES for 3-butyl-1-methylpyrrolidin-3-ol is CCCCC1(O)CCN(C)C1.
What is the InChIKey of 3-butyl-1-methylpyrrolidin-3-ol?
The InChIKey is TUKUCRHVUDYOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-4-5-9(11)6-7-10(2)8-9/h11H,3-8H2,1-2H3.
What are the key properties of 3-butyl-1-methylpyrrolidin-3-ol?
3-butyl-1-methylpyrrolidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-methylpyrrolidin-3-ol is sourced from PubChem (CID 65146565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).