(3S)-3-ethenylpyrrolidin-3-ol

C6H11NO — CID 166166569

IUPAC(3S)-3-ethenylpyrrolidin-3-ol
SMILESC=C[C@@]1(O)CCNC1
InChIInChI=1S/C6H11NO/c1-2-6(8)3-4-7-5-6/h2,7-8H,1,3-5H2/t6-/m1/s1
InChIKeyUNHSJMFKUVVKAW-ZCFIWIBFSA-N
MW113.16 g/mol
LogP-0.10
Rot. Bonds1

About (3S)-3-ethenylpyrrolidin-3-ol

(3S)-3-ethenylpyrrolidin-3-ol (PubChem CID 166166569) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (3S)-3-ethenylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-3-ethenylpyrrolidin-3-ol
PubChem CID166166569
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(3S)-3-ethenylpyrrolidin-3-ol
SMILESC=C[C@@]1(O)CCNC1
InChIInChI=1S/C6H11NO/c1-2-6(8)3-4-7-5-6/h2,7-8H,1,3-5H2/t6-/m1/s1
InChIKeyUNHSJMFKUVVKAW-ZCFIWIBFSA-N
XLogP-0.10
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethenylpyrrolidin-3-ol?
The IUPAC name of (3S)-3-ethenylpyrrolidin-3-ol (CID 166166569) is (3S)-3-ethenylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-3-ethenylpyrrolidin-3-ol?
The canonical SMILES for (3S)-3-ethenylpyrrolidin-3-ol is C=C[C@@]1(O)CCNC1.
What is the InChIKey of (3S)-3-ethenylpyrrolidin-3-ol?
The InChIKey is UNHSJMFKUVVKAW-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H11NO/c1-2-6(8)3-4-7-5-6/h2,7-8H,1,3-5H2/t6-/m1/s1.
What are the key properties of (3S)-3-ethenylpyrrolidin-3-ol?
(3S)-3-ethenylpyrrolidin-3-ol has a molecular weight of 113.16 g/mol, XLogP of -0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethenylpyrrolidin-3-ol is sourced from PubChem (CID 166166569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).