N-(6-hydrazinyl-6-oxohexyl)-2-methylprop-2-enamide

C10H19N3O2 — CID 71445139

IUPACN-(6-hydrazinyl-6-oxohexyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCC(=O)NN
InChIInChI=1S/C10H19N3O2/c1-8(2)10(15)12-7-5-3-4-6-9(14)13-11/h1,3-7,11H2,2H3,(H,12,15)(H,13,14)
InChIKeyLYUQWAGPWZUFNV-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.23
Rot. Bonds7

About N-(6-hydrazinyl-6-oxohexyl)-2-methylprop-2-enamide

N-(6-hydrazinyl-6-oxohexyl)-2-methylprop-2-enamide (PubChem CID 71445139) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-(6-hydrazinyl-6-oxohexyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(6-hydrazinyl-6-oxohexyl)-2-methylprop-2-enamide
PubChem CID71445139
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-(6-hydrazinyl-6-oxohexyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCCCCCC(=O)NN
InChIInChI=1S/C10H19N3O2/c1-8(2)10(15)12-7-5-3-4-6-9(14)13-11/h1,3-7,11H2,2H3,(H,12,15)(H,13,14)
InChIKeyLYUQWAGPWZUFNV-UHFFFAOYSA-N
XLogP0.23
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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 N-(6-hydrazinyl-6-oxohexyl)-2-methylprop-2-enamide?
The IUPAC name of N-(6-hydrazinyl-6-oxohexyl)-2-methylprop-2-enamide (CID 71445139) is N-(6-hydrazinyl-6-oxohexyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(6-hydrazinyl-6-oxohexyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(6-hydrazinyl-6-oxohexyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCCCCCC(=O)NN.
What is the InChIKey of N-(6-hydrazinyl-6-oxohexyl)-2-methylprop-2-enamide?
The InChIKey is LYUQWAGPWZUFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8(2)10(15)12-7-5-3-4-6-9(14)13-11/h1,3-7,11H2,2H3,(H,12,15)(H,13,14).
What are the key properties of N-(6-hydrazinyl-6-oxohexyl)-2-methylprop-2-enamide?
N-(6-hydrazinyl-6-oxohexyl)-2-methylprop-2-enamide has a molecular weight of 213.28 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydrazinyl-6-oxohexyl)-2-methylprop-2-enamide is sourced from PubChem (CID 71445139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).