(3Z,5Z)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylidenenona-3,5-dienamide

C17H20N2O3 — CID 137127643

IUPAC(3Z,5Z)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylidenenona-3,5-dienamide
SMILESC=C(/C=C\C=C/CCC)C(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C17H20N2O3/c1-3-4-5-6-7-8-13(2)17(22)19-18-12-14-9-10-15(20)11-16(14)21/h5-12,20-21H,2-4H2,1H3,(H,19,22)/b6-5-,8-7-,18-12+
InChIKeyVCTHTWODIRRUNV-JGMWIEGYSA-N
MW300.36 g/mol
LogP3.02
Rot. Bonds7

About (3Z,5Z)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylidenenona-3,5-dienamide

(3Z,5Z)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylidenenona-3,5-dienamide (PubChem CID 137127643) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (3Z,5Z)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylidenenona-3,5-dienamide.

Molecular Properties

Compound Name(3Z,5Z)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylidenenona-3,5-dienamide
PubChem CID137127643
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(3Z,5Z)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylidenenona-3,5-dienamide
SMILESC=C(/C=C\C=C/CCC)C(=O)N/N=C/c1ccc(O)cc1O
InChIInChI=1S/C17H20N2O3/c1-3-4-5-6-7-8-13(2)17(22)19-18-12-14-9-10-15(20)11-16(14)21/h5-12,20-21H,2-4H2,1H3,(H,19,22)/b6-5-,8-7-,18-12+
InChIKeyVCTHTWODIRRUNV-JGMWIEGYSA-N
XLogP3.02
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylidenenona-3,5-dienamide?
The IUPAC name of (3Z,5Z)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylidenenona-3,5-dienamide (CID 137127643) is (3Z,5Z)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylidenenona-3,5-dienamide.
What is the SMILES notation for (3Z,5Z)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylidenenona-3,5-dienamide?
The canonical SMILES for (3Z,5Z)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylidenenona-3,5-dienamide is C=C(/C=C\C=C/CCC)C(=O)N/N=C/c1ccc(O)cc1O.
What is the InChIKey of (3Z,5Z)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylidenenona-3,5-dienamide?
The InChIKey is VCTHTWODIRRUNV-JGMWIEGYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-4-5-6-7-8-13(2)17(22)19-18-12-14-9-10-15(20)11-16(14)21/h5-12,20-21H,2-4H2,1H3,(H,19,22)/b6-5-,8-7-,18-12+.
What are the key properties of (3Z,5Z)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylidenenona-3,5-dienamide?
(3Z,5Z)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylidenenona-3,5-dienamide has a molecular weight of 300.36 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-2-methylidenenona-3,5-dienamide is sourced from PubChem (CID 137127643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).