2-methyl-4-pyrrolidin-1-ylbutan-2-ol

C9H19NO — CID 79359808

IUPAC2-methyl-4-pyrrolidin-1-ylbutan-2-ol
SMILESCC(C)(O)CCN1CCCC1
InChIInChI=1S/C9H19NO/c1-9(2,11)5-8-10-6-3-4-7-10/h11H,3-8H2,1-2H3
InChIKeySOHAWBMOFPPYDC-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds3

About 2-methyl-4-pyrrolidin-1-ylbutan-2-ol

2-methyl-4-pyrrolidin-1-ylbutan-2-ol (PubChem CID 79359808) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2-methyl-4-pyrrolidin-1-ylbutan-2-ol.

Molecular Properties

Compound Name2-methyl-4-pyrrolidin-1-ylbutan-2-ol
PubChem CID79359808
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2-methyl-4-pyrrolidin-1-ylbutan-2-ol
SMILESCC(C)(O)CCN1CCCC1
InChIInChI=1S/C9H19NO/c1-9(2,11)5-8-10-6-3-4-7-10/h11H,3-8H2,1-2H3
InChIKeySOHAWBMOFPPYDC-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 2-methyl-4-pyrrolidin-1-ylbutan-2-ol?
The IUPAC name of 2-methyl-4-pyrrolidin-1-ylbutan-2-ol (CID 79359808) is 2-methyl-4-pyrrolidin-1-ylbutan-2-ol.
What is the SMILES notation for 2-methyl-4-pyrrolidin-1-ylbutan-2-ol?
The canonical SMILES for 2-methyl-4-pyrrolidin-1-ylbutan-2-ol is CC(C)(O)CCN1CCCC1.
What is the InChIKey of 2-methyl-4-pyrrolidin-1-ylbutan-2-ol?
The InChIKey is SOHAWBMOFPPYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-9(2,11)5-8-10-6-3-4-7-10/h11H,3-8H2,1-2H3.
What are the key properties of 2-methyl-4-pyrrolidin-1-ylbutan-2-ol?
2-methyl-4-pyrrolidin-1-ylbutan-2-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 2-methyl-4-pyrrolidin-1-ylbutan-2-ol is sourced from PubChem (CID 79359808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).