(E)-1-(6-methyl-2-pyridinyl)pent-3-en-2-ol

C11H15NO — CID 130124275

IUPAC(E)-1-(6-methyl-2-pyridinyl)pent-3-en-2-ol
SMILESC/C=C/C(O)Cc1cccc(C)n1
InChIInChI=1S/C11H15NO/c1-3-5-11(13)8-10-7-4-6-9(2)12-10/h3-7,11,13H,8H2,1-2H3/b5-3+
InChIKeyBAJPATGXUSQQSU-HWKANZROSA-N
MW177.25 g/mol
LogP1.87
Rot. Bonds3

About (E)-1-(6-methyl-2-pyridinyl)pent-3-en-2-ol

(E)-1-(6-methyl-2-pyridinyl)pent-3-en-2-ol (PubChem CID 130124275) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (E)-1-(6-methyl-2-pyridinyl)pent-3-en-2-ol.

Molecular Properties

Compound Name(E)-1-(6-methyl-2-pyridinyl)pent-3-en-2-ol
PubChem CID130124275
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(E)-1-(6-methyl-2-pyridinyl)pent-3-en-2-ol
SMILESC/C=C/C(O)Cc1cccc(C)n1
InChIInChI=1S/C11H15NO/c1-3-5-11(13)8-10-7-4-6-9(2)12-10/h3-7,11,13H,8H2,1-2H3/b5-3+
InChIKeyBAJPATGXUSQQSU-HWKANZROSA-N
XLogP1.87
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 51.87
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-(6-methyl-2-pyridinyl)butan-2-ol
CID 63200949
N-methyl-1-(6-methyl-2-pyridinyl)propan-2-amine
CID 16640577
2-amino-3-(6-methyl-2-pyridinyl)propan-1-ol;hydrochloride
CID 170891881
(1S)-1-(furan-2-yl)-2-(6-methyl-2-pyridinyl)ethanol
CID 125478801
ethane;(6-methyl-2-pyridinyl)methanol
CID 123372592
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
(6-methyl-2-pyridinyl)methanol;hydrochloride
CID 18413908
2-(2-fluoroethyl)-6-methylpyridine
CID 70660766
(Z,1S)-N-methyl-1-(6-methyl-2-pyridinyl)but-2-en-1-amine
CID 144848319
4,4,4-trifluoro-N-[1-(6-methyl-2-pyridinyl)propan-2-yl]butanamide
CID 91837939
(E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
CID 107899871
2-(2-chloro-2-cyclopropylethyl)-6-methylpyridine
CID 63352873

Frequently Asked Questions

What is the IUPAC name of (E)-1-(6-methyl-2-pyridinyl)pent-3-en-2-ol?
The IUPAC name of (E)-1-(6-methyl-2-pyridinyl)pent-3-en-2-ol (CID 130124275) is (E)-1-(6-methyl-2-pyridinyl)pent-3-en-2-ol.
What is the SMILES notation for (E)-1-(6-methyl-2-pyridinyl)pent-3-en-2-ol?
The canonical SMILES for (E)-1-(6-methyl-2-pyridinyl)pent-3-en-2-ol is C/C=C/C(O)Cc1cccc(C)n1.
What is the InChIKey of (E)-1-(6-methyl-2-pyridinyl)pent-3-en-2-ol?
The InChIKey is BAJPATGXUSQQSU-HWKANZROSA-N. The full InChI is InChI=1S/C11H15NO/c1-3-5-11(13)8-10-7-4-6-9(2)12-10/h3-7,11,13H,8H2,1-2H3/b5-3+.
What are the key properties of (E)-1-(6-methyl-2-pyridinyl)pent-3-en-2-ol?
(E)-1-(6-methyl-2-pyridinyl)pent-3-en-2-ol has a molecular weight of 177.25 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(6-methyl-2-pyridinyl)pent-3-en-2-ol is sourced from PubChem (CID 130124275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).