1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol

C9H15NO — CID 146773660

IUPAC1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol
SMILESC=C(O)C1NCC=C[C@@H]1CC
InChIInChI=1S/C9H15NO/c1-3-8-5-4-6-10-9(8)7(2)11/h4-5,8-11H,2-3,6H2,1H3/t8-,9?/m0/s1
InChIKeyRSFLIEHXPYIRKR-IENPIDJESA-N
MW153.22 g/mol
LogP1.61
Rot. Bonds2

About 1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol

1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol (PubChem CID 146773660) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol.

Molecular Properties

Compound Name1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol
PubChem CID146773660
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol
SMILESC=C(O)C1NCC=C[C@@H]1CC
InChIInChI=1S/C9H15NO/c1-3-8-5-4-6-10-9(8)7(2)11/h4-5,8-11H,2-3,6H2,1H3/t8-,9?/m0/s1
InChIKeyRSFLIEHXPYIRKR-IENPIDJESA-N
XLogP1.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol?
The IUPAC name of 1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol (CID 146773660) is 1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol.
What is the SMILES notation for 1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol?
The canonical SMILES for 1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol is C=C(O)C1NCC=C[C@@H]1CC.
What is the InChIKey of 1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol?
The InChIKey is RSFLIEHXPYIRKR-IENPIDJESA-N. The full InChI is InChI=1S/C9H15NO/c1-3-8-5-4-6-10-9(8)7(2)11/h4-5,8-11H,2-3,6H2,1H3/t8-,9?/m0/s1.
What are the key properties of 1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol?
1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol has a molecular weight of 153.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-ethyl-1,2,3,6-tetrahydropyridin-2-yl]ethenol is sourced from PubChem (CID 146773660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).