N'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide

C12H20N2O2 — CID 174766314

IUPACN'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide
SMILESC=C(C)C(=O)NN(CCCC)C(=O)C(=C)C
InChIInChI=1S/C12H20N2O2/c1-6-7-8-14(12(16)10(4)5)13-11(15)9(2)3/h2,4,6-8H2,1,3,5H3,(H,13,15)
InChIKeyLXXJVUCMYDQIAG-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.80
Rot. Bonds5

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

N'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide (PubChem CID 174766314) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide.

Molecular Properties

Compound NameN'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide
PubChem CID174766314
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide
SMILESC=C(C)C(=O)NN(CCCC)C(=O)C(=C)C
InChIInChI=1S/C12H20N2O2/c1-6-7-8-14(12(16)10(4)5)13-11(15)9(2)3/h2,4,6-8H2,1,3,5H3,(H,13,15)
InChIKeyLXXJVUCMYDQIAG-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide?
The IUPAC name of N'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide (CID 174766314) is N'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide.
What is the SMILES notation for N'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide?
The canonical SMILES for N'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide is C=C(C)C(=O)NN(CCCC)C(=O)C(=C)C.
What is the InChIKey of N'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide?
The InChIKey is LXXJVUCMYDQIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-6-7-8-14(12(16)10(4)5)13-11(15)9(2)3/h2,4,6-8H2,1,3,5H3,(H,13,15).
What are the key properties of N'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide?
N'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide has a molecular weight of 224.30 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-2-methyl-N'-(2-methylprop-2-enoyl)prop-2-enehydrazide is sourced from PubChem (CID 174766314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).