(2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide

C13H16N2O — CID 131636948

IUPAC(2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide
SMILESC/C=C/C=C/C(=O)N(N)c1ccc(C)cc1
InChIInChI=1S/C13H16N2O/c1-3-4-5-6-13(16)15(14)12-9-7-11(2)8-10-12/h3-10H,14H2,1-2H3/b4-3+,6-5+
InChIKeySFUOGWMMHCFCBL-VNKDHWASSA-N
MW216.28 g/mol
LogP2.33
Rot. Bonds3

About (2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide

(2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide (PubChem CID 131636948) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is (2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide.

Molecular Properties

Compound Name(2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide
PubChem CID131636948
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name(2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide
SMILESC/C=C/C=C/C(=O)N(N)c1ccc(C)cc1
InChIInChI=1S/C13H16N2O/c1-3-4-5-6-13(16)15(14)12-9-7-11(2)8-10-12/h3-10H,14H2,1-2H3/b4-3+,6-5+
InChIKeySFUOGWMMHCFCBL-VNKDHWASSA-N
XLogP2.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(N-[(E)-but-2-enoyl]-4-methylanilino)acetic acid
CID 54926318
N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide
CID 142881144
ethane;1-[(3Z,5Z)-hepta-1,3,5-trien-2-yl]-4-methylbenzene
CID 143259636
ethane;N-(4-methylphenyl)-N-[(Z)-prop-1-enyl]prop-2-enamide
CID 142881143
(2E,4E)-N,N-dimethyl-5-(4-methylphenyl)penta-2,4-dienamide
CID 139551714
N,N,N',N'-tetrakis(4-methylphenyl)propanediamide
CID 165110005
N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide
CID 75266228
2-[(2-amino-2-oxoethyl)-hexa-2,4-dienoylamino]acetic acid
CID 107433897
ethane;(3Z,5Z)-2-methylhepta-1,3,5-triene;toluene
CID 142426246
N-(2-aminoethyl)-N-methylhexa-2,4-dienamide
CID 76954139
N-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methylaniline
CID 144905375
N-methyl-N-[1-(4-methylphenyl)ethyl]but-2-enamide
CID 112725740

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide?
The IUPAC name of (2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide (CID 131636948) is (2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide.
What is the SMILES notation for (2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide?
The canonical SMILES for (2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide is C/C=C/C=C/C(=O)N(N)c1ccc(C)cc1.
What is the InChIKey of (2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide?
The InChIKey is SFUOGWMMHCFCBL-VNKDHWASSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-4-5-6-13(16)15(14)12-9-7-11(2)8-10-12/h3-10H,14H2,1-2H3/b4-3+,6-5+.
What are the key properties of (2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide?
(2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide has a molecular weight of 216.28 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(4-methylphenyl)hexa-2,4-dienehydrazide is sourced from PubChem (CID 131636948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).