1-butoxy-3-pyrrolidin-1-ylpropan-2-ol

C11H23NO2 — CID 3146693

IUPAC1-butoxy-3-pyrrolidin-1-ylpropan-2-ol
SMILESCCCCOCC(O)CN1CCCC1
InChIInChI=1S/C11H23NO2/c1-2-3-8-14-10-11(13)9-12-6-4-5-7-12/h11,13H,2-10H2,1H3
InChIKeyHKVKWLILAGJVST-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.26
Rot. Bonds7

About 1-butoxy-3-pyrrolidin-1-ylpropan-2-ol

1-butoxy-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 3146693) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-butoxy-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID3146693
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name1-butoxy-3-pyrrolidin-1-ylpropan-2-ol
SMILESCCCCOCC(O)CN1CCCC1
InChIInChI=1S/C11H23NO2/c1-2-3-8-14-10-11(13)9-12-6-4-5-7-12/h11,13H,2-10H2,1H3
InChIKeyHKVKWLILAGJVST-UHFFFAOYSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-butoxy-3-pyrrolidin-1-ylpropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-butoxy-3-pyrrolidin-1-ylpropan-2-ol (CID 3146693) is 1-butoxy-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-butoxy-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-butoxy-3-pyrrolidin-1-ylpropan-2-ol is CCCCOCC(O)CN1CCCC1.
What is the InChIKey of 1-butoxy-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is HKVKWLILAGJVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-2-3-8-14-10-11(13)9-12-6-4-5-7-12/h11,13H,2-10H2,1H3.
What are the key properties of 1-butoxy-3-pyrrolidin-1-ylpropan-2-ol?
1-butoxy-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 201.31 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 3146693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).