(3S)-1-pyridin-3-ylhex-5-en-3-ol

C11H15NO — CID 124576146

IUPAC(3S)-1-pyridin-3-ylhex-5-en-3-ol
SMILESC=CC[C@@H](O)CCc1cccnc1
InChIInChI=1S/C11H15NO/c1-2-4-11(13)7-6-10-5-3-8-12-9-10/h2-3,5,8-9,11,13H,1,4,6-7H2/t11-/m1/s1
InChIKeyUEVVVOISIXLZHU-LLVKDONJSA-N
MW177.25 g/mol
LogP1.95
Rot. Bonds5

About (3S)-1-pyridin-3-ylhex-5-en-3-ol

(3S)-1-pyridin-3-ylhex-5-en-3-ol (PubChem CID 124576146) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (3S)-1-pyridin-3-ylhex-5-en-3-ol.

Molecular Properties

Compound Name(3S)-1-pyridin-3-ylhex-5-en-3-ol
PubChem CID124576146
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(3S)-1-pyridin-3-ylhex-5-en-3-ol
SMILESC=CC[C@@H](O)CCc1cccnc1
InChIInChI=1S/C11H15NO/c1-2-4-11(13)7-6-10-5-3-8-12-9-10/h2-3,5,8-9,11,13H,1,4,6-7H2/t11-/m1/s1
InChIKeyUEVVVOISIXLZHU-LLVKDONJSA-N
XLogP1.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methoxy-4-pyridin-3-ylbutan-2-ol
CID 21334956
N-methyl-1-pyridin-3-ylhept-6-en-3-amine
CID 105153411
2-methyl-5-pyridin-3-ylpent-1-en-3-ol
CID 105110580
1-(4-chlorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105076712
1-pyridin-3-ylundecan-3-ol
CID 105085819
4-pyridin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 105091191
1-(2-fluorophenyl)-3-pyridin-3-ylpropan-1-ol
CID 105083957
(2S)-5-pyridin-3-ylpentan-2-ol
CID 10899042
fluoro 5-hydroxy-7-pyridin-3-ylheptanoate
CID 174893409
4-pyridin-3-yl-1-quinolin-2-ylbutan-2-ol
CID 105106899
1-(2,5-difluorophenyl)-4-pyridin-3-ylbutan-2-ol
CID 105081155
(2S)-1-(6-bromonaphthalen-2-yl)oxy-4-pyridin-3-ylbutan-2-ol
CID 70240277

Frequently Asked Questions

What is the IUPAC name of (3S)-1-pyridin-3-ylhex-5-en-3-ol?
The IUPAC name of (3S)-1-pyridin-3-ylhex-5-en-3-ol (CID 124576146) is (3S)-1-pyridin-3-ylhex-5-en-3-ol.
What is the SMILES notation for (3S)-1-pyridin-3-ylhex-5-en-3-ol?
The canonical SMILES for (3S)-1-pyridin-3-ylhex-5-en-3-ol is C=CC[C@@H](O)CCc1cccnc1.
What is the InChIKey of (3S)-1-pyridin-3-ylhex-5-en-3-ol?
The InChIKey is UEVVVOISIXLZHU-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO/c1-2-4-11(13)7-6-10-5-3-8-12-9-10/h2-3,5,8-9,11,13H,1,4,6-7H2/t11-/m1/s1.
What are the key properties of (3S)-1-pyridin-3-ylhex-5-en-3-ol?
(3S)-1-pyridin-3-ylhex-5-en-3-ol has a molecular weight of 177.25 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-pyridin-3-ylhex-5-en-3-ol is sourced from PubChem (CID 124576146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).