5-prop-1-en-2-ylpyrrolidin-3-ol

C7H13NO — CID 167514939

IUPAC5-prop-1-en-2-ylpyrrolidin-3-ol
SMILESC=C(C)C1CC(O)CN1
InChIInChI=1S/C7H13NO/c1-5(2)7-3-6(9)4-8-7/h6-9H,1,3-4H2,2H3
InChIKeyGUGXQZAOUARTLA-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.29
Rot. Bonds1

About 5-prop-1-en-2-ylpyrrolidin-3-ol

5-prop-1-en-2-ylpyrrolidin-3-ol (PubChem CID 167514939) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-prop-1-en-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-prop-1-en-2-ylpyrrolidin-3-ol
PubChem CID167514939
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-prop-1-en-2-ylpyrrolidin-3-ol
SMILESC=C(C)C1CC(O)CN1
InChIInChI=1S/C7H13NO/c1-5(2)7-3-6(9)4-8-7/h6-9H,1,3-4H2,2H3
InChIKeyGUGXQZAOUARTLA-UHFFFAOYSA-N
XLogP0.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.29
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-Methylidenepyrrolidin-2-yl)methanol
CID 22046683
5-Ethenylpyrrolidin-3-ol
CID 54557774
[(2R)-4-methylidenepyrrolidin-2-yl]methanol;hydrochloride
CID 55287071
[(2R)-4-methylidenepyrrolidin-2-yl]methanol
CID 55287072
[(2S)-4-methylidenepyrrolidin-2-yl]methanol
CID 55287073
(3S,5S)-5-prop-1-en-2-yl-1-propylpyrrolidin-3-ol
CID 57673973
(2S,4E)-4-ethylidene-2-(tritiooxymethyl)pyrrolidine
CID 59062482
[(2S)-4-methylidenepyrrolidin-2-yl]methanol;hydrochloride
CID 68410746
(4-Methylidenepyrrolidin-2-yl)methanol;hydrochloride
CID 68410748
rel-(3R,4S)-4-(1-Methylethenyl)-3-pyrrolidinol
CID 69675869
4-(Prop-1-EN-2-YL)pyrrolidin-3-OL
CID 69675870
(3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol
CID 70259523

Frequently Asked Questions

What is the IUPAC name of 5-prop-1-en-2-ylpyrrolidin-3-ol?
The IUPAC name of 5-prop-1-en-2-ylpyrrolidin-3-ol (CID 167514939) is 5-prop-1-en-2-ylpyrrolidin-3-ol.
What is the SMILES notation for 5-prop-1-en-2-ylpyrrolidin-3-ol?
The canonical SMILES for 5-prop-1-en-2-ylpyrrolidin-3-ol is C=C(C)C1CC(O)CN1.
What is the InChIKey of 5-prop-1-en-2-ylpyrrolidin-3-ol?
The InChIKey is GUGXQZAOUARTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)7-3-6(9)4-8-7/h6-9H,1,3-4H2,2H3.
What are the key properties of 5-prop-1-en-2-ylpyrrolidin-3-ol?
5-prop-1-en-2-ylpyrrolidin-3-ol has a molecular weight of 127.19 g/mol, XLogP of 0.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 167514939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).