2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol

C10H13NO — CID 105110557

IUPAC2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol
SMILESC=C(C)C(O)c1ncccc1C
InChIInChI=1S/C10H13NO/c1-7(2)10(12)9-8(3)5-4-6-11-9/h4-6,10,12H,1H2,2-3H3
InChIKeyQOCDZVPLCMZGSW-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.00
Rot. Bonds2

About 2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol

2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol (PubChem CID 105110557) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol.

Molecular Properties

Compound Name2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol
PubChem CID105110557
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol
SMILESC=C(C)C(O)c1ncccc1C
InChIInChI=1S/C10H13NO/c1-7(2)10(12)9-8(3)5-4-6-11-9/h4-6,10,12H,1H2,2-3H3
InChIKeyQOCDZVPLCMZGSW-UHFFFAOYSA-N
XLogP2.00
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.00
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

(1R)-2-bromo-1-(3-methyl-2-pyridinyl)ethanol
CID 155163970
CID 155748395
CID 155748395
2-[(1R)-1-bromoethyl]-3-methylpyridine
CID 124561597
1-(3-methyl-2-pyridinyl)ethanamine;dihydrochloride
CID 127264674
2-methyl-1-(3-methyl-2-pyridinyl)pentan-1-ol
CID 107892875
2-amino-2-(3-methyl-2-pyridinyl)ethanol
CID 55293811
2-cyclopropyl-1-(3-methyl-2-pyridinyl)ethanol
CID 64904867
N,3-dimethyl-1-(3-methyl-2-pyridinyl)but-2-en-1-amine
CID 79190959
3-methoxy-1-(3-methyl-2-pyridinyl)propan-1-ol
CID 114997246
5-fluoro-3-methylidene-1-(3-methyl-2-pyridinyl)hex-4-en-1-amine
CID 123631226
(1R)-1-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 55264530
(4-fluoro-3-methylphenyl)-(3-methyl-2-pyridinyl)methanol
CID 62789628

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol?
The IUPAC name of 2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol (CID 105110557) is 2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol.
What is the SMILES notation for 2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol?
The canonical SMILES for 2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol is C=C(C)C(O)c1ncccc1C.
What is the InChIKey of 2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol?
The InChIKey is QOCDZVPLCMZGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7(2)10(12)9-8(3)5-4-6-11-9/h4-6,10,12H,1H2,2-3H3.
What are the key properties of 2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol?
2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol has a molecular weight of 163.22 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-methyl-2-pyridinyl)prop-2-en-1-ol is sourced from PubChem (CID 105110557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).