(3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol

C11H15NO — CID 92532437

IUPAC(3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol
SMILESC=C[C@@](C)(O)CCc1ccccn1
InChIInChI=1S/C11H15NO/c1-3-11(2,13)8-7-10-6-4-5-9-12-10/h3-6,9,13H,1,7-8H2,2H3/t11-/m1/s1
InChIKeyFNZVVTPGMKRQQY-LLVKDONJSA-N
MW177.25 g/mol
LogP1.95
Rot. Bonds4

About (3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol

(3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol (PubChem CID 92532437) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol.

Molecular Properties

Compound Name(3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol
PubChem CID92532437
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol
SMILESC=C[C@@](C)(O)CCc1ccccn1
InChIInChI=1S/C11H15NO/c1-3-11(2,13)8-7-10-6-4-5-9-12-10/h3-6,9,13H,1,7-8H2,2H3/t11-/m1/s1
InChIKeyFNZVVTPGMKRQQY-LLVKDONJSA-N
XLogP1.95
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

2-methyl-4-pyridin-2-ylbutan-2-ol
CID 145217393
2-(3,3-dimethylhept-6-enyl)pyridine
CID 91019951
2-(5,5-dimethylhexyl)pyridine
CID 151657269
2-(4,4-dimethylhexyl)pyridine
CID 57111041
2-hydroxy-2-methyl-N-(4-methylphenyl)-4-pyridin-2-ylbutanamide
CID 58860970
(3S)-3-phenyl-6-pyridin-2-ylhexan-3-ol
CID 125487866
3,3-dimethyl-4-(2-pyridin-2-ylethylamino)butan-1-ol
CID 106146853
2-prop-2-enylpyridine
CID 3015241
2-[3-[4-[(E)-3,3-dimethylbut-1-enyl]phenyl]but-3-enyl]pyridine
CID 143048623
3-methyl-1-N-(2-pyridin-2-ylethyl)butane-1,3-diamine
CID 115200835
2-oct-7-enylpyridine
CID 57031977
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol?
The IUPAC name of (3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol (CID 92532437) is (3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol.
What is the SMILES notation for (3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol?
The canonical SMILES for (3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol is C=C[C@@](C)(O)CCc1ccccn1.
What is the InChIKey of (3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol?
The InChIKey is FNZVVTPGMKRQQY-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-11(2,13)8-7-10-6-4-5-9-12-10/h3-6,9,13H,1,7-8H2,2H3/t11-/m1/s1.
What are the key properties of (3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol?
(3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol has a molecular weight of 177.25 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methyl-5-pyridin-2-ylpent-1-en-3-ol is sourced from PubChem (CID 92532437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).