3-(1-but-3-en-2-ylpyrrolidin-2-yl)propan-1-ol

C11H21NO — CID 62468680

IUPAC3-(1-but-3-en-2-ylpyrrolidin-2-yl)propan-1-ol
SMILESC=CC(C)N1CCCC1CCCO
InChIInChI=1S/C11H21NO/c1-3-10(2)12-8-4-6-11(12)7-5-9-13/h3,10-11,13H,1,4-9H2,2H3
InChIKeyYAZRKGCYGLNUIC-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.80
Rot. Bonds5

About 3-(1-but-3-en-2-ylpyrrolidin-2-yl)propan-1-ol

3-(1-but-3-en-2-ylpyrrolidin-2-yl)propan-1-ol (PubChem CID 62468680) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(1-but-3-en-2-ylpyrrolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-but-3-en-2-ylpyrrolidin-2-yl)propan-1-ol
PubChem CID62468680
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(1-but-3-en-2-ylpyrrolidin-2-yl)propan-1-ol
SMILESC=CC(C)N1CCCC1CCCO
InChIInChI=1S/C11H21NO/c1-3-10(2)12-8-4-6-11(12)7-5-9-13/h3,10-11,13H,1,4-9H2,2H3
InChIKeyYAZRKGCYGLNUIC-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-but-3-en-2-ylpyrrolidin-2-yl)propan-1-ol?
The IUPAC name of 3-(1-but-3-en-2-ylpyrrolidin-2-yl)propan-1-ol (CID 62468680) is 3-(1-but-3-en-2-ylpyrrolidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1-but-3-en-2-ylpyrrolidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(1-but-3-en-2-ylpyrrolidin-2-yl)propan-1-ol is C=CC(C)N1CCCC1CCCO.
What is the InChIKey of 3-(1-but-3-en-2-ylpyrrolidin-2-yl)propan-1-ol?
The InChIKey is YAZRKGCYGLNUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10(2)12-8-4-6-11(12)7-5-9-13/h3,10-11,13H,1,4-9H2,2H3.
What are the key properties of 3-(1-but-3-en-2-ylpyrrolidin-2-yl)propan-1-ol?
3-(1-but-3-en-2-ylpyrrolidin-2-yl)propan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-but-3-en-2-ylpyrrolidin-2-yl)propan-1-ol is sourced from PubChem (CID 62468680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).