(6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol

C12H18N2O — CID 118861825

IUPAC(6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol
SMILESC=C/C(N)=C(C)\C=C1/CC(C)=CC(O)N1
InChIInChI=1S/C12H18N2O/c1-4-11(13)9(3)7-10-5-8(2)6-12(15)14-10/h4,6-7,12,14-15H,1,5,13H2,2-3H3/b10-7+,11-9+
InChIKeySJDYISNJXJIXTO-PPZOTWNKSA-N
MW206.29 g/mol
LogP1.55
Rot. Bonds2

About (6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol

(6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol (PubChem CID 118861825) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol.

Molecular Properties

Compound Name(6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol
PubChem CID118861825
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol
SMILESC=C/C(N)=C(C)\C=C1/CC(C)=CC(O)N1
InChIInChI=1S/C12H18N2O/c1-4-11(13)9(3)7-10-5-8(2)6-12(15)14-10/h4,6-7,12,14-15H,1,5,13H2,2-3H3/b10-7+,11-9+
InChIKeySJDYISNJXJIXTO-PPZOTWNKSA-N
XLogP1.55
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol?
The IUPAC name of (6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol (CID 118861825) is (6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol.
What is the SMILES notation for (6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol?
The canonical SMILES for (6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol is C=C/C(N)=C(C)\C=C1/CC(C)=CC(O)N1.
What is the InChIKey of (6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol?
The InChIKey is SJDYISNJXJIXTO-PPZOTWNKSA-N. The full InChI is InChI=1S/C12H18N2O/c1-4-11(13)9(3)7-10-5-8(2)6-12(15)14-10/h4,6-7,12,14-15H,1,5,13H2,2-3H3/b10-7+,11-9+.
What are the key properties of (6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol?
(6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol has a molecular weight of 206.29 g/mol, XLogP of 1.55, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(2E)-3-amino-2-methylpenta-2,4-dienylidene]-4-methyl-2,5-dihydro-1H-pyridin-2-ol is sourced from PubChem (CID 118861825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).