3-but-3-enyl-4-propylpyrrolidin-2-ol

C11H21NO — CID 142051754

IUPAC3-but-3-enyl-4-propylpyrrolidin-2-ol
SMILESC=CCCC1C(CCC)CNC1O
InChIInChI=1S/C11H21NO/c1-3-5-7-10-9(6-4-2)8-12-11(10)13/h3,9-13H,1,4-8H2,2H3
InChIKeyBLTXLDAFRQKNQX-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.91
Rot. Bonds5

About 3-but-3-enyl-4-propylpyrrolidin-2-ol

3-but-3-enyl-4-propylpyrrolidin-2-ol (PubChem CID 142051754) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-but-3-enyl-4-propylpyrrolidin-2-ol.

Molecular Properties

Compound Name3-but-3-enyl-4-propylpyrrolidin-2-ol
PubChem CID142051754
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-but-3-enyl-4-propylpyrrolidin-2-ol
SMILESC=CCCC1C(CCC)CNC1O
InChIInChI=1S/C11H21NO/c1-3-5-7-10-9(6-4-2)8-12-11(10)13/h3,9-13H,1,4-8H2,2H3
InChIKeyBLTXLDAFRQKNQX-UHFFFAOYSA-N
XLogP1.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-Pent-1-en-2-ylpyrrolidin-3-yl)methanol
CID 68178211
[4-Methyl-2,2,5,5-tetrakis(prop-2-enyl)pyrrolidin-3-yl]methanol
CID 70452670
4-(5-Methylideneocta-1,3,6-trien-4-yl)pyrrolidin-2-ol
CID 123898503
1-(3-Hydroxypropylamino)-2-methylnon-8-en-1-ol
CID 123988888
4-But-3-enyl-4-ethylpyrrolidin-2-ol
CID 134202368
5-Methylidene-3-pentan-3-ylpyrrolidin-2-ol
CID 139456106
(2R)-2-[(5,5-dimethylpyrrolidin-3-yl)methyl]pent-4-en-1-ol
CID 141177622
3-but-3-enyl-4-propylpyrrolidin-2-ol;(Z)-hept-3-enenitrile
CID 142051753
4-[[(2R,3S)-4-(hydroxymethyl)-2,3-dimethylpyrrolidin-2-yl]methyl]pent-4-en-1-ol
CID 147223439
[2-[(Pent-4-enylamino)methyl]cyclohexyl]methanol
CID 65903975
[2-[(But-3-enylamino)methyl]cyclohexyl]methanol
CID 65904345
[2-[(But-3-enylamino)methyl]cyclopentyl]methanol
CID 65927042

Frequently Asked Questions

What is the IUPAC name of 3-but-3-enyl-4-propylpyrrolidin-2-ol?
The IUPAC name of 3-but-3-enyl-4-propylpyrrolidin-2-ol (CID 142051754) is 3-but-3-enyl-4-propylpyrrolidin-2-ol.
What is the SMILES notation for 3-but-3-enyl-4-propylpyrrolidin-2-ol?
The canonical SMILES for 3-but-3-enyl-4-propylpyrrolidin-2-ol is C=CCCC1C(CCC)CNC1O.
What is the InChIKey of 3-but-3-enyl-4-propylpyrrolidin-2-ol?
The InChIKey is BLTXLDAFRQKNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-7-10-9(6-4-2)8-12-11(10)13/h3,9-13H,1,4-8H2,2H3.
What are the key properties of 3-but-3-enyl-4-propylpyrrolidin-2-ol?
3-but-3-enyl-4-propylpyrrolidin-2-ol has a molecular weight of 183.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-enyl-4-propylpyrrolidin-2-ol is sourced from PubChem (CID 142051754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).