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

C11H21NO — CID 117268233

IUPAC3-(1-propan-2-ylpyrrolidin-3-yl)but-3-en-1-ol
SMILESC=C(CCO)C1CCN(C(C)C)C1
InChIInChI=1S/C11H21NO/c1-9(2)12-6-4-11(8-12)10(3)5-7-13/h9,11,13H,3-8H2,1-2H3
InChIKeyKPBUIDNUCXHWLS-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.66
Rot. Bonds4

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

3-(1-propan-2-ylpyrrolidin-3-yl)but-3-en-1-ol (PubChem CID 117268233) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(1-propan-2-ylpyrrolidin-3-yl)but-3-en-1-ol.

Molecular Properties

Compound Name3-(1-propan-2-ylpyrrolidin-3-yl)but-3-en-1-ol
PubChem CID117268233
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(1-propan-2-ylpyrrolidin-3-yl)but-3-en-1-ol
SMILESC=C(CCO)C1CCN(C(C)C)C1
InChIInChI=1S/C11H21NO/c1-9(2)12-6-4-11(8-12)10(3)5-7-13/h9,11,13H,3-8H2,1-2H3
InChIKeyKPBUIDNUCXHWLS-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(4R)-1-methyl-4-prop-2-enylpyrrolidin-2-yl]methanol
CID 156131389
(2-Butyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol
CID 164922029
[1-Methyl-2-(2-methylprop-2-enyl)pyrrolidin-2-yl]methanol
CID 164922682
methane;[(2S)-1-methyl-4-methylidene-2-propylpyrrolidin-2-yl]methanol
CID 170771620
(2-Ethyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol
CID 172354916
(1-Methyl-4-methylidene-2-propylpyrrolidin-2-yl)methanol
CID 172364840
Ethane;(2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl)methanol
CID 177009240
[(2S)-2-ethyl-1-methyl-4-methylidenepyrrolidin-2-yl]methanol
CID 177010251
[(2S)-2-prop-1-en-2-yl-1-prop-2-enylpyrrolidin-2-yl]methanol
CID 177095469
2-(1-Ethylpyrrolidin-3-yl)prop-2-en-1-ol
CID 12181788
[3-Methyl-1-(3-methylbut-3-enyl)pyrrolidin-2-yl]methanol
CID 102788068
(3-Methyl-1-pent-4-enylpyrrolidin-2-yl)methanol
CID 102788434

Frequently Asked Questions

What is the IUPAC name of 3-(1-propan-2-ylpyrrolidin-3-yl)but-3-en-1-ol?
The IUPAC name of 3-(1-propan-2-ylpyrrolidin-3-yl)but-3-en-1-ol (CID 117268233) is 3-(1-propan-2-ylpyrrolidin-3-yl)but-3-en-1-ol.
What is the SMILES notation for 3-(1-propan-2-ylpyrrolidin-3-yl)but-3-en-1-ol?
The canonical SMILES for 3-(1-propan-2-ylpyrrolidin-3-yl)but-3-en-1-ol is C=C(CCO)C1CCN(C(C)C)C1.
What is the InChIKey of 3-(1-propan-2-ylpyrrolidin-3-yl)but-3-en-1-ol?
The InChIKey is KPBUIDNUCXHWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)12-6-4-11(8-12)10(3)5-7-13/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 3-(1-propan-2-ylpyrrolidin-3-yl)but-3-en-1-ol?
3-(1-propan-2-ylpyrrolidin-3-yl)but-3-en-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propan-2-ylpyrrolidin-3-yl)but-3-en-1-ol is sourced from PubChem (CID 117268233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).