2-[(3-methyl-2-methylidene-1-pyridinyl)methyl]prop-2-en-1-ol

C11H15NO — CID 154939908

IUPAC2-[(3-methyl-2-methylidene-1-pyridinyl)methyl]prop-2-en-1-ol
SMILESC=C(CO)CN1C=CC=C(C)C1=C
InChIInChI=1S/C11H15NO/c1-9(8-13)7-12-6-4-5-10(2)11(12)3/h4-6,13H,1,3,7-8H2,2H3
InChIKeyMKOZHLBMZSZDRY-UHFFFAOYSA-N
MW177.25 g/mol
LogP1.82
Rot. Bonds3

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

2-[(3-methyl-2-methylidene-1-pyridinyl)methyl]prop-2-en-1-ol (PubChem CID 154939908) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is 2-[(3-methyl-2-methylidene-1-pyridinyl)methyl]prop-2-en-1-ol.

Molecular Properties

Compound Name2-[(3-methyl-2-methylidene-1-pyridinyl)methyl]prop-2-en-1-ol
PubChem CID154939908
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name2-[(3-methyl-2-methylidene-1-pyridinyl)methyl]prop-2-en-1-ol
SMILESC=C(CO)CN1C=CC=C(C)C1=C
InChIInChI=1S/C11H15NO/c1-9(8-13)7-12-6-4-5-10(2)11(12)3/h4-6,13H,1,3,7-8H2,2H3
InChIKeyMKOZHLBMZSZDRY-UHFFFAOYSA-N
XLogP1.82
TPSA23.47 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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-methylidene-1-pyridinyl)methyl]prop-2-en-1-ol?
The IUPAC name of 2-[(3-methyl-2-methylidene-1-pyridinyl)methyl]prop-2-en-1-ol (CID 154939908) is 2-[(3-methyl-2-methylidene-1-pyridinyl)methyl]prop-2-en-1-ol.
What is the SMILES notation for 2-[(3-methyl-2-methylidene-1-pyridinyl)methyl]prop-2-en-1-ol?
The canonical SMILES for 2-[(3-methyl-2-methylidene-1-pyridinyl)methyl]prop-2-en-1-ol is C=C(CO)CN1C=CC=C(C)C1=C.
What is the InChIKey of 2-[(3-methyl-2-methylidene-1-pyridinyl)methyl]prop-2-en-1-ol?
The InChIKey is MKOZHLBMZSZDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO/c1-9(8-13)7-12-6-4-5-10(2)11(12)3/h4-6,13H,1,3,7-8H2,2H3.
What are the key properties of 2-[(3-methyl-2-methylidene-1-pyridinyl)methyl]prop-2-en-1-ol?
2-[(3-methyl-2-methylidene-1-pyridinyl)methyl]prop-2-en-1-ol has a molecular weight of 177.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-methylidene-1-pyridinyl)methyl]prop-2-en-1-ol is sourced from PubChem (CID 154939908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).