N-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide

C11H21N3O2 — CID 4565784

IUPACN-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide
SMILESCCC(=O)NNC(C)=CC(=O)NC(C)CC
InChIInChI=1S/C11H21N3O2/c1-5-8(3)12-11(16)7-9(4)13-14-10(15)6-2/h7-8,13H,5-6H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyWXEMGWYIVGUKRL-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.84
Rot. Bonds6

About N-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide

N-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide (PubChem CID 4565784) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide
PubChem CID4565784
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide
SMILESCCC(=O)NNC(C)=CC(=O)NC(C)CC
InChIInChI=1S/C11H21N3O2/c1-5-8(3)12-11(16)7-9(4)13-14-10(15)6-2/h7-8,13H,5-6H2,1-4H3,(H,12,16)(H,14,15)
InChIKeyWXEMGWYIVGUKRL-UHFFFAOYSA-N
XLogP0.84
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.84
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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Related Compounds

5-Methyl-2-propyl-1,2-dihydro-3H-pyrazol-3-one
CID 12385116
1-Butyl-3-methyl-1H-pyrazol-5-ol
CID 12385123
1H-Pyrazol-5-ol, 3-methyl-1-(1-methylethyl)-
CID 12385114
3-(5-methyl-3-oxo-1H-pyrazol-2-yl)propanamide
CID 21501920
N-methyl-3-(5-methyl-3-oxo-1H-pyrazol-2-yl)propanamide
CID 21501956
N-[3-(5-methyl-3-oxo-1H-pyrazol-2-yl)propyl]acetamide
CID 21520748
N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600660
N-[2-(2,4,5,9-tetramethyl-3,7-dioxo-1H-1,2,6-triazonin-6-yl)ethyl]acetamide
CID 134333641
2,2-dimethyl-N-[2-(2-methyl-3-oxo-1H-pyrazol-5-yl)ethyl]propanamide
CID 168788069
N-ethyl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide
CID 4068527
N-butan-2-yl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide
CID 4565786
N-ethyl-3-[2-[2-(2-methylpropylamino)-2-oxoacetyl]hydrazinyl]but-2-enamide
CID 5017552

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide?
The IUPAC name of N-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide (CID 4565784) is N-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide.
What is the SMILES notation for N-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide?
The canonical SMILES for N-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide is CCC(=O)NNC(C)=CC(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide?
The InChIKey is WXEMGWYIVGUKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-5-8(3)12-11(16)7-9(4)13-14-10(15)6-2/h7-8,13H,5-6H2,1-4H3,(H,12,16)(H,14,15).
What are the key properties of N-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide?
N-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide has a molecular weight of 227.31 g/mol, XLogP of 0.84, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(2-propanoylhydrazinyl)but-2-enamide is sourced from PubChem (CID 4565784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).