(Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide

C15H16N4O2 — CID 141193756

IUPAC(Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide
SMILESCc1ccc2ccccc2c1N(N)C(=O)/C=C\C(=O)NN
InChIInChI=1S/C15H16N4O2/c1-10-6-7-11-4-2-3-5-12(11)15(10)19(17)14(21)9-8-13(20)18-16/h2-9H,16-17H2,1H3,(H,18,20)/b9-8-
InChIKeyLJZQGQOAXXYMES-HJWRWDBZSA-N
MW284.32 g/mol
LogP0.90
Rot. Bonds3

About (Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide

(Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide (PubChem CID 141193756) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is (Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide.

Molecular Properties

Compound Name(Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide
PubChem CID141193756
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name(Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide
SMILESCc1ccc2ccccc2c1N(N)C(=O)/C=C\C(=O)NN
InChIInChI=1S/C15H16N4O2/c1-10-6-7-11-4-2-3-5-12(11)15(10)19(17)14(21)9-8-13(20)18-16/h2-9H,16-17H2,1H3,(H,18,20)/b9-8-
InChIKeyLJZQGQOAXXYMES-HJWRWDBZSA-N
XLogP0.90
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide?
The IUPAC name of (Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide (CID 141193756) is (Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide.
What is the SMILES notation for (Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide?
The canonical SMILES for (Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide is Cc1ccc2ccccc2c1N(N)C(=O)/C=C\C(=O)NN.
What is the InChIKey of (Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide?
The InChIKey is LJZQGQOAXXYMES-HJWRWDBZSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-10-6-7-11-4-2-3-5-12(11)15(10)19(17)14(21)9-8-13(20)18-16/h2-9H,16-17H2,1H3,(H,18,20)/b9-8-.
What are the key properties of (Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide?
(Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide has a molecular weight of 284.32 g/mol, XLogP of 0.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N-(2-methylnaphthalen-1-yl)but-2-enedihydrazide is sourced from PubChem (CID 141193756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).