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

C12H23N3O2 — CID 4565786

IUPACN-butan-2-yl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide
SMILESCCC(C)NC(=O)C=C(C)NNC(=O)C(C)C
InChIInChI=1S/C12H23N3O2/c1-6-9(4)13-11(16)7-10(5)14-15-12(17)8(2)3/h7-9,14H,6H2,1-5H3,(H,13,16)(H,15,17)
InChIKeyYZSFEQWIEAFFFO-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.08
Rot. Bonds6

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

N-butan-2-yl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide (PubChem CID 4565786) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is N-butan-2-yl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide
PubChem CID4565786
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC NameN-butan-2-yl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide
SMILESCCC(C)NC(=O)C=C(C)NNC(=O)C(C)C
InChIInChI=1S/C12H23N3O2/c1-6-9(4)13-11(16)7-10(5)14-15-12(17)8(2)3/h7-9,14H,6H2,1-5H3,(H,13,16)(H,15,17)
InChIKeyYZSFEQWIEAFFFO-UHFFFAOYSA-N
XLogP1.08
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.08
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-butan-2-yl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide?
The IUPAC name of N-butan-2-yl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide (CID 4565786) is N-butan-2-yl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide.
What is the SMILES notation for N-butan-2-yl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide?
The canonical SMILES for N-butan-2-yl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide is CCC(C)NC(=O)C=C(C)NNC(=O)C(C)C.
What is the InChIKey of N-butan-2-yl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide?
The InChIKey is YZSFEQWIEAFFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-6-9(4)13-11(16)7-10(5)14-15-12(17)8(2)3/h7-9,14H,6H2,1-5H3,(H,13,16)(H,15,17).
What are the key properties of N-butan-2-yl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide?
N-butan-2-yl-3-[2-(2-methylpropanoyl)hydrazinyl]but-2-enamide has a molecular weight of 241.33 g/mol, XLogP of 1.08, 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-(2-methylpropanoyl)hydrazinyl]but-2-enamide is sourced from PubChem (CID 4565786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).