(4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol

C13H15NO — CID 146281426

IUPAC(4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol
SMILESC=C(O)C(=C)/C(N)=C/c1ccccc1C
InChIInChI=1S/C13H15NO/c1-9-6-4-5-7-12(9)8-13(14)10(2)11(3)15/h4-8,15H,2-3,14H2,1H3/b13-8-
InChIKeyASTNHTHSSNMLCM-JYRVWZFOSA-N
MW201.27 g/mol
LogP2.92
Rot. Bonds3

About (4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol

(4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol (PubChem CID 146281426) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is (4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol.

Molecular Properties

Compound Name(4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol
PubChem CID146281426
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name(4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol
SMILESC=C(O)C(=C)/C(N)=C/c1ccccc1C
InChIInChI=1S/C13H15NO/c1-9-6-4-5-7-12(9)8-13(14)10(2)11(3)15/h4-8,15H,2-3,14H2,1H3/b13-8-
InChIKeyASTNHTHSSNMLCM-JYRVWZFOSA-N
XLogP2.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol?
The IUPAC name of (4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol (CID 146281426) is (4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol.
What is the SMILES notation for (4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol?
The canonical SMILES for (4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol is C=C(O)C(=C)/C(N)=C/c1ccccc1C.
What is the InChIKey of (4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol?
The InChIKey is ASTNHTHSSNMLCM-JYRVWZFOSA-N. The full InChI is InChI=1S/C13H15NO/c1-9-6-4-5-7-12(9)8-13(14)10(2)11(3)15/h4-8,15H,2-3,14H2,1H3/b13-8-.
What are the key properties of (4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol?
(4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol has a molecular weight of 201.27 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-amino-3-methylidene-5-(2-methylphenyl)penta-1,4-dien-2-ol is sourced from PubChem (CID 146281426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).