5-prop-2-enylpyrrolidin-3-ol

C7H13NO — CID 12791695

IUPAC5-prop-2-enylpyrrolidin-3-ol
SMILESC=CCC1CC(O)CN1
InChIInChI=1S/C7H13NO/c1-2-3-6-4-7(9)5-8-6/h2,6-9H,1,3-5H2
InChIKeyALXOFKXJTYVDEE-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.29
Rot. Bonds2

About 5-prop-2-enylpyrrolidin-3-ol

5-prop-2-enylpyrrolidin-3-ol (PubChem CID 12791695) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-prop-2-enylpyrrolidin-3-ol.

Molecular Properties

Compound Name5-prop-2-enylpyrrolidin-3-ol
PubChem CID12791695
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name5-prop-2-enylpyrrolidin-3-ol
SMILESC=CCC1CC(O)CN1
InChIInChI=1S/C7H13NO/c1-2-3-6-4-7(9)5-8-6/h2,6-9H,1,3-5H2
InChIKeyALXOFKXJTYVDEE-UHFFFAOYSA-N
XLogP0.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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

cis-2-Allylpyrrolidin-5-ol
CID 559551
Iruleixilfztee-jgvffnpusa-
CID 11355528
5-Ethenylpyrrolidin-3-ol
CID 54557774
(1R)-1-[(2S)-pyrrolidin-2-yl]prop-2-en-1-ol
CID 55286758
rac-(3R,4S)-4-(prop-2-en-1-yl)pyrrolidin-3-ol
CID 55287060
4-(Prop-2-EN-1-YL)pyrrolidin-3-OL
CID 58691764
rel-(3R,4S)-4-Allylpyrrolidin-3-ol
CID 69675805
(3S,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol
CID 70259523
(5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol
CID 70306807
(3R,5S)-5-(1-hydroxyethenyl)pyrrolidin-3-ol
CID 89001665
(3R,5R)-5-prop-2-enylpyrrolidin-3-ol
CID 96005172
(3S,6S)-6-ethenylpiperidin-3-ol
CID 126725620

Frequently Asked Questions

What is the IUPAC name of 5-prop-2-enylpyrrolidin-3-ol?
The IUPAC name of 5-prop-2-enylpyrrolidin-3-ol (CID 12791695) is 5-prop-2-enylpyrrolidin-3-ol.
What is the SMILES notation for 5-prop-2-enylpyrrolidin-3-ol?
The canonical SMILES for 5-prop-2-enylpyrrolidin-3-ol is C=CCC1CC(O)CN1.
What is the InChIKey of 5-prop-2-enylpyrrolidin-3-ol?
The InChIKey is ALXOFKXJTYVDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-3-6-4-7(9)5-8-6/h2,6-9H,1,3-5H2.
What are the key properties of 5-prop-2-enylpyrrolidin-3-ol?
5-prop-2-enylpyrrolidin-3-ol has a molecular weight of 127.19 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-2-enylpyrrolidin-3-ol is sourced from PubChem (CID 12791695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).