(2S,3R)-3-pyridin-3-ylpent-4-en-2-ol

C10H13NO — CID 134968632

IUPAC(2S,3R)-3-pyridin-3-ylpent-4-en-2-ol
SMILESC=C[C@H](c1cccnc1)[C@H](C)O
InChIInChI=1S/C10H13NO/c1-3-10(8(2)12)9-5-4-6-11-7-9/h3-8,10,12H,1H2,2H3/t8-,10-/m0/s1
InChIKeyIWEOWYYHHSEZPV-WPRPVWTQSA-N
MW163.22 g/mol
LogP1.73
Rot. Bonds3

About (2S,3R)-3-pyridin-3-ylpent-4-en-2-ol

(2S,3R)-3-pyridin-3-ylpent-4-en-2-ol (PubChem CID 134968632) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is (2S,3R)-3-pyridin-3-ylpent-4-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-pyridin-3-ylpent-4-en-2-ol
PubChem CID134968632
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name(2S,3R)-3-pyridin-3-ylpent-4-en-2-ol
SMILESC=C[C@H](c1cccnc1)[C@H](C)O
InChIInChI=1S/C10H13NO/c1-3-10(8(2)12)9-5-4-6-11-7-9/h3-8,10,12H,1H2,2H3/t8-,10-/m0/s1
InChIKeyIWEOWYYHHSEZPV-WPRPVWTQSA-N
XLogP1.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.73
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

(2R)-3-pyridin-3-ylbutan-2-ol
CID 57231816
1-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 132535360
1-pyridin-3-yl-2-(trifluoromethyl)but-3-en-1-ol
CID 85357126
(Z)-1-pyridin-3-ylbut-2-en-1-ol
CID 45079933
3-[(1S)-1-chloroethyl]pyridine;hydrochloride
CID 171991541
3-[(1R)-1-phenylethyl]pyridine
CID 13287121
ethane;methane;3-propan-2-ylpyridine;sulfane
CID 159647027
(1R)-1-pyridin-3-ylethanamine;hydrochloride
CID 53487230
N-[(1S)-1-pyridin-3-ylethyl]but-3-en-1-amine
CID 81404679
1-hydroxy-1-pyridin-3-ylpropan-2-one
CID 12549519
(E)-1-pyridin-3-ylpent-3-ene-1,2-diol
CID 130127875
(1R)-N-methyl-1-pyridin-3-ylethanamine
CID 26248773

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-pyridin-3-ylpent-4-en-2-ol?
The IUPAC name of (2S,3R)-3-pyridin-3-ylpent-4-en-2-ol (CID 134968632) is (2S,3R)-3-pyridin-3-ylpent-4-en-2-ol.
What is the SMILES notation for (2S,3R)-3-pyridin-3-ylpent-4-en-2-ol?
The canonical SMILES for (2S,3R)-3-pyridin-3-ylpent-4-en-2-ol is C=C[C@H](c1cccnc1)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-pyridin-3-ylpent-4-en-2-ol?
The InChIKey is IWEOWYYHHSEZPV-WPRPVWTQSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-10(8(2)12)9-5-4-6-11-7-9/h3-8,10,12H,1H2,2H3/t8-,10-/m0/s1.
What are the key properties of (2S,3R)-3-pyridin-3-ylpent-4-en-2-ol?
(2S,3R)-3-pyridin-3-ylpent-4-en-2-ol has a molecular weight of 163.22 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-pyridin-3-ylpent-4-en-2-ol is sourced from PubChem (CID 134968632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).