4-buta-1,3-dien-2-yloxypyrrolidin-3-ol

C8H13NO2 — CID 123215135

IUPAC4-buta-1,3-dien-2-yloxypyrrolidin-3-ol
SMILESC=CC(=C)OC1CNCC1O
InChIInChI=1S/C8H13NO2/c1-3-6(2)11-8-5-9-4-7(8)10/h3,7-10H,1-2,4-5H2
InChIKeyUZCQXUISOLTSCN-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.04
Rot. Bonds3

About 4-buta-1,3-dien-2-yloxypyrrolidin-3-ol

4-buta-1,3-dien-2-yloxypyrrolidin-3-ol (PubChem CID 123215135) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-buta-1,3-dien-2-yloxypyrrolidin-3-ol.

Molecular Properties

Compound Name4-buta-1,3-dien-2-yloxypyrrolidin-3-ol
PubChem CID123215135
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-buta-1,3-dien-2-yloxypyrrolidin-3-ol
SMILESC=CC(=C)OC1CNCC1O
InChIInChI=1S/C8H13NO2/c1-3-6(2)11-8-5-9-4-7(8)10/h3,7-10H,1-2,4-5H2
InChIKeyUZCQXUISOLTSCN-UHFFFAOYSA-N
XLogP0.04
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 4-buta-1,3-dien-2-yloxypyrrolidin-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(Butylamino)-3-prop-2-enoxypropan-2-ol
CID 316364
1-(2-Hydroxyethylamino)-3-prop-2-enoxypropan-2-ol
CID 12521259
(3S,4S)-4-allyloxy-pyrrolidin-3-ol hydrochloride
CID 66817259
(3S,4S)-4-prop-2-enoxypyrrolidin-3-ol
CID 66817260
(3R,4R)-4-buta-1,3-dien-2-yloxypyrrolidin-3-ol
CID 118145883
3-Buta-1,3-dien-2-yloxypyrrolidine
CID 123866298
(3S,4R)-3-methoxy-4-prop-2-enoxypyrrolidine
CID 170563827
(3S,4R)-1-deuterio-3-methoxy-4-prop-2-enoxypyrrolidine
CID 176033365
3-[2-(Allyloxy)ethoxy]pyrrolidine hydrochloride
CID 53409513
3-(2-Prop-2-enoxyethoxy)pyrrolidine
CID 53409514
(3R)-3-(2-prop-2-enoxyethoxy)pyrrolidine
CID 93908152
(3S)-3-(2-prop-2-enoxyethoxy)pyrrolidine
CID 93908153

Frequently Asked Questions

What is the IUPAC name of 4-buta-1,3-dien-2-yloxypyrrolidin-3-ol?
The IUPAC name of 4-buta-1,3-dien-2-yloxypyrrolidin-3-ol (CID 123215135) is 4-buta-1,3-dien-2-yloxypyrrolidin-3-ol.
What is the SMILES notation for 4-buta-1,3-dien-2-yloxypyrrolidin-3-ol?
The canonical SMILES for 4-buta-1,3-dien-2-yloxypyrrolidin-3-ol is C=CC(=C)OC1CNCC1O.
What is the InChIKey of 4-buta-1,3-dien-2-yloxypyrrolidin-3-ol?
The InChIKey is UZCQXUISOLTSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-6(2)11-8-5-9-4-7(8)10/h3,7-10H,1-2,4-5H2.
What are the key properties of 4-buta-1,3-dien-2-yloxypyrrolidin-3-ol?
4-buta-1,3-dien-2-yloxypyrrolidin-3-ol has a molecular weight of 155.20 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-buta-1,3-dien-2-yloxypyrrolidin-3-ol is sourced from PubChem (CID 123215135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).