N'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide

C12H20N2O3 — CID 139466882

IUPACN'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide
SMILESC=C(C)C(=O)NN(CCCCO)C(=O)C(=C)C
InChIInChI=1S/C12H20N2O3/c1-9(2)11(16)13-14(7-5-6-8-15)12(17)10(3)4/h15H,1,3,5-8H2,2,4H3,(H,13,16)
InChIKeyFUFLVHWPFPRFGY-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.77
Rot. Bonds6

About N'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide

N'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide (PubChem CID 139466882) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide.

Molecular Properties

Compound NameN'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide
PubChem CID139466882
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide
SMILESC=C(C)C(=O)NN(CCCCO)C(=O)C(=C)C
InChIInChI=1S/C12H20N2O3/c1-9(2)11(16)13-14(7-5-6-8-15)12(17)10(3)4/h15H,1,3,5-8H2,2,4H3,(H,13,16)
InChIKeyFUFLVHWPFPRFGY-UHFFFAOYSA-N
XLogP0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide?
The IUPAC name of N'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide (CID 139466882) is N'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide.
What is the SMILES notation for N'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide?
The canonical SMILES for N'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide is C=C(C)C(=O)NN(CCCCO)C(=O)C(=C)C.
What is the InChIKey of N'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide?
The InChIKey is FUFLVHWPFPRFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-9(2)11(16)13-14(7-5-6-8-15)12(17)10(3)4/h15H,1,3,5-8H2,2,4H3,(H,13,16).
What are the key properties of N'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide?
N'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide has a molecular weight of 240.30 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxybutyl)-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide is sourced from PubChem (CID 139466882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).