N-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide

C10H19N3O2 — CID 4068527

IUPACN-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide
SMILESCCNC(=O)C=C(C)NNC(=O)C(C)C
InChIInChI=1S/C10H19N3O2/c1-5-11-9(14)6-8(4)12-13-10(15)7(2)3/h6-7,12H,5H2,1-4H3,(H,11,14)(H,13,15)
InChIKeyKVGVHVMHOIIKMT-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.30
Rot. Bonds5

About N-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide

N-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide (PubChem CID 4068527) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide.

Molecular Properties

Compound NameN-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide
PubChem CID4068527
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC NameN-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide
SMILESCCNC(=O)C=C(C)NNC(=O)C(C)C
InChIInChI=1S/C10H19N3O2/c1-5-11-9(14)6-8(4)12-13-10(15)7(2)3/h6-7,12H,5H2,1-4H3,(H,11,14)(H,13,15)
InChIKeyKVGVHVMHOIIKMT-UHFFFAOYSA-N
XLogP0.30
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide?
The IUPAC name of N-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide (CID 4068527) is N-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide.
What is the SMILES notation for N-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide?
The canonical SMILES for N-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide is CCNC(=O)C=C(C)NNC(=O)C(C)C.
What is the InChIKey of N-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide?
The InChIKey is KVGVHVMHOIIKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-5-11-9(14)6-8(4)12-13-10(15)7(2)3/h6-7,12H,5H2,1-4H3,(H,11,14)(H,13,15).
What are the key properties of N-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide?
N-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide has a molecular weight of 213.28 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide is sourced from PubChem (CID 4068527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).