1-butyl-5-propylpyrrolidin-3-ol

C11H23NO — CID 54045741

IUPAC1-butyl-5-propylpyrrolidin-3-ol
SMILESCCCCN1CC(O)CC1CCC
InChIInChI=1S/C11H23NO/c1-3-5-7-12-9-11(13)8-10(12)6-4-2/h10-11,13H,3-9H2,1-2H3
InChIKeyWFBXWANWMQNCIC-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.02
Rot. Bonds5

About 1-butyl-5-propylpyrrolidin-3-ol

1-butyl-5-propylpyrrolidin-3-ol (PubChem CID 54045741) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-butyl-5-propylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-butyl-5-propylpyrrolidin-3-ol
PubChem CID54045741
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-butyl-5-propylpyrrolidin-3-ol
SMILESCCCCN1CC(O)CC1CCC
InChIInChI=1S/C11H23NO/c1-3-5-7-12-9-11(13)8-10(12)6-4-2/h10-11,13H,3-9H2,1-2H3
InChIKeyWFBXWANWMQNCIC-UHFFFAOYSA-N
XLogP2.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-propylpyrrolidin-3-ol?
The IUPAC name of 1-butyl-5-propylpyrrolidin-3-ol (CID 54045741) is 1-butyl-5-propylpyrrolidin-3-ol.
What is the SMILES notation for 1-butyl-5-propylpyrrolidin-3-ol?
The canonical SMILES for 1-butyl-5-propylpyrrolidin-3-ol is CCCCN1CC(O)CC1CCC.
What is the InChIKey of 1-butyl-5-propylpyrrolidin-3-ol?
The InChIKey is WFBXWANWMQNCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-5-7-12-9-11(13)8-10(12)6-4-2/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 1-butyl-5-propylpyrrolidin-3-ol?
1-butyl-5-propylpyrrolidin-3-ol has a molecular weight of 185.31 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-propylpyrrolidin-3-ol is sourced from PubChem (CID 54045741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).