1-(oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol

C13H23NO2 — CID 91424840

IUPAC1-(oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol
SMILESC=C(C)C1CC(O)CN1CC1CCOCC1
InChIInChI=1S/C13H23NO2/c1-10(2)13-7-12(15)9-14(13)8-11-3-5-16-6-4-11/h11-13,15H,1,3-9H2,2H3
InChIKeyHPDNNNDVYAZGFI-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.42
Rot. Bonds3

About 1-(oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol

1-(oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol (PubChem CID 91424840) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-(oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol
PubChem CID91424840
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol
SMILESC=C(C)C1CC(O)CN1CC1CCOCC1
InChIInChI=1S/C13H23NO2/c1-10(2)13-7-12(15)9-14(13)8-11-3-5-16-6-4-11/h11-13,15H,1,3-9H2,2H3
InChIKeyHPDNNNDVYAZGFI-UHFFFAOYSA-N
XLogP1.42
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-5-prop-1-en-2-yl-1-propylpyrrolidin-3-ol
CID 57673973
(3R)-5-ethyl-1-(oxan-4-ylmethyl)pyrrolidin-3-ol
CID 67953766
(3S)-5-ethyl-1-(oxan-4-ylmethyl)pyrrolidin-3-ol
CID 67953817
1-[1-(Oxan-4-yl)ethenyl]pyrrolidin-3-ol
CID 123174870
5-(1-Aminoethenyl)-1-(oxan-4-ylmethyl)pyrrolidin-3-ol;ethane
CID 144023064
(3S)-1-[1-(oxan-4-yl)ethenyl]pyrrolidin-3-ol
CID 145592840
(3R,5S)-1,1-dimethyl-5-prop-1-en-2-ylpyrrolidin-1-ium-3-ol
CID 166473737

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol?
The IUPAC name of 1-(oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol (CID 91424840) is 1-(oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 1-(oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol?
The canonical SMILES for 1-(oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol is C=C(C)C1CC(O)CN1CC1CCOCC1.
What is the InChIKey of 1-(oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol?
The InChIKey is HPDNNNDVYAZGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)13-7-12(15)9-14(13)8-11-3-5-16-6-4-11/h11-13,15H,1,3-9H2,2H3.
What are the key properties of 1-(oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol?
1-(oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol has a molecular weight of 225.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-ylmethyl)-5-prop-1-en-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 91424840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).