N'-butyl-N-ethyl-2-methylprop-2-enehydrazide

C10H20N2O — CID 87503812

IUPACN'-butyl-N-ethyl-2-methylprop-2-enehydrazide
SMILESC=C(C)C(=O)N(CC)NCCCC
InChIInChI=1S/C10H20N2O/c1-5-7-8-11-12(6-2)10(13)9(3)4/h11H,3,5-8H2,1-2,4H3
InChIKeyFDCUVAJKHADOBT-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.72
Rot. Bonds6

About N'-butyl-N-ethyl-2-methylprop-2-enehydrazide

N'-butyl-N-ethyl-2-methylprop-2-enehydrazide (PubChem CID 87503812) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N'-butyl-N-ethyl-2-methylprop-2-enehydrazide.

Molecular Properties

Compound NameN'-butyl-N-ethyl-2-methylprop-2-enehydrazide
PubChem CID87503812
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN'-butyl-N-ethyl-2-methylprop-2-enehydrazide
SMILESC=C(C)C(=O)N(CC)NCCCC
InChIInChI=1S/C10H20N2O/c1-5-7-8-11-12(6-2)10(13)9(3)4/h11H,3,5-8H2,1-2,4H3
InChIKeyFDCUVAJKHADOBT-UHFFFAOYSA-N
XLogP1.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-butyl-N-ethyl-2-methylprop-2-enehydrazide?
The IUPAC name of N'-butyl-N-ethyl-2-methylprop-2-enehydrazide (CID 87503812) is N'-butyl-N-ethyl-2-methylprop-2-enehydrazide.
What is the SMILES notation for N'-butyl-N-ethyl-2-methylprop-2-enehydrazide?
The canonical SMILES for N'-butyl-N-ethyl-2-methylprop-2-enehydrazide is C=C(C)C(=O)N(CC)NCCCC.
What is the InChIKey of N'-butyl-N-ethyl-2-methylprop-2-enehydrazide?
The InChIKey is FDCUVAJKHADOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-7-8-11-12(6-2)10(13)9(3)4/h11H,3,5-8H2,1-2,4H3.
What are the key properties of N'-butyl-N-ethyl-2-methylprop-2-enehydrazide?
N'-butyl-N-ethyl-2-methylprop-2-enehydrazide has a molecular weight of 184.28 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-N-ethyl-2-methylprop-2-enehydrazide is sourced from PubChem (CID 87503812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).