1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol

C10H14N2O — CID 130130424

IUPAC1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol
SMILESC=CC(O)c1cc(N(C)C)ccn1
InChIInChI=1S/C10H14N2O/c1-4-10(13)9-7-8(12(2)3)5-6-11-9/h4-7,10,13H,1H2,2-3H3
InChIKeyFLIPERROSLQYGU-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.37
Rot. Bonds3

About 1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol

1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol (PubChem CID 130130424) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol
PubChem CID130130424
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol
SMILESC=CC(O)c1cc(N(C)C)ccn1
InChIInChI=1S/C10H14N2O/c1-4-10(13)9-7-8(12(2)3)5-6-11-9/h4-7,10,13H,1H2,2-3H3
InChIKeyFLIPERROSLQYGU-UHFFFAOYSA-N
XLogP1.37
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol?
The IUPAC name of 1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol (CID 130130424) is 1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol.
What is the SMILES notation for 1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol?
The canonical SMILES for 1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol is C=CC(O)c1cc(N(C)C)ccn1.
What is the InChIKey of 1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol?
The InChIKey is FLIPERROSLQYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-10(13)9-7-8(12(2)3)5-6-11-9/h4-7,10,13H,1H2,2-3H3.
What are the key properties of 1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol?
1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol has a molecular weight of 178.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-2-pyridinyl]prop-2-en-1-ol is sourced from PubChem (CID 130130424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).