1-prop-2-enylpyrrolidine-3,4-diol

C7H13NO2 — CID 72779960

IUPAC1-prop-2-enylpyrrolidine-3,4-diol
SMILESC=CCN1CC(O)C(O)C1
InChIInChI=1S/C7H13NO2/c1-2-3-8-4-6(9)7(10)5-8/h2,6-7,9-10H,1,3-5H2
InChIKeyHRBXGVGYORAILE-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.79
Rot. Bonds2

About 1-prop-2-enylpyrrolidine-3,4-diol

1-prop-2-enylpyrrolidine-3,4-diol (PubChem CID 72779960) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-prop-2-enylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-prop-2-enylpyrrolidine-3,4-diol
PubChem CID72779960
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-prop-2-enylpyrrolidine-3,4-diol
SMILESC=CCN1CC(O)C(O)C1
InChIInChI=1S/C7H13NO2/c1-2-3-8-4-6(9)7(10)5-8/h2,6-7,9-10H,1,3-5H2
InChIKeyHRBXGVGYORAILE-UHFFFAOYSA-N
XLogP-0.79
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-prop-2-enyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 118017653
4-(hydroxymethyl)-1-prop-2-enylpiperidin-3-ol
CID 131131773
(3R,4R,5R,6R)-1,4,5-tris(prop-2-enyl)azepane-3,4,5,6-tetrol
CID 67641746
4-prop-2-enyl-4-azatricyclo[5.2.1.02,6]dec-8-ene
CID 66486601
3-phenyl-1-prop-2-enylazetidine
CID 23632
5-(difluoromethyl)-1-prop-2-enylpiperidin-3-ol
CID 126716020
[(3S,4S)-4-methyl-1-prop-2-enylpyrrolidin-3-yl]methanol
CID 130610025
2,4,6-tris(prop-2-enyl)morpholine
CID 118117986
3-methyl-7-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane
CID 70507723
(4-cyclopropyl-1-prop-2-enylpyrrolidin-3-yl)methanol
CID 22624487
(1-prop-2-enylpyrrolidin-3-yl)methanol
CID 25219526
1-(aminomethyl)pyrrolidine-3,4-diol
CID 67191860

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpyrrolidine-3,4-diol?
The IUPAC name of 1-prop-2-enylpyrrolidine-3,4-diol (CID 72779960) is 1-prop-2-enylpyrrolidine-3,4-diol.
What is the SMILES notation for 1-prop-2-enylpyrrolidine-3,4-diol?
The canonical SMILES for 1-prop-2-enylpyrrolidine-3,4-diol is C=CCN1CC(O)C(O)C1.
What is the InChIKey of 1-prop-2-enylpyrrolidine-3,4-diol?
The InChIKey is HRBXGVGYORAILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-3-8-4-6(9)7(10)5-8/h2,6-7,9-10H,1,3-5H2.
What are the key properties of 1-prop-2-enylpyrrolidine-3,4-diol?
1-prop-2-enylpyrrolidine-3,4-diol has a molecular weight of 143.19 g/mol, XLogP of -0.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpyrrolidine-3,4-diol is sourced from PubChem (CID 72779960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).