2-methyl-N-[3-[2-(2-methylpropanoyl)hydrazinyl]propyl]prop-2-enamide

C11H21N3O2 — CID 54290026

IUPAC2-methyl-N-[3-[2-(2-methylpropanoyl)hydrazinyl]propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCNNC(=O)C(C)C
InChIInChI=1S/C11H21N3O2/c1-8(2)10(15)12-6-5-7-13-14-11(16)9(3)4/h9,13H,1,5-7H2,2-4H3,(H,12,15)(H,14,16)
InChIKeyRWVQVFVQUIVYAX-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.35
Rot. Bonds7

About 2-methyl-N-[3-[2-(2-methylpropanoyl)hydrazinyl]propyl]prop-2-enamide

2-methyl-N-[3-[2-(2-methylpropanoyl)hydrazinyl]propyl]prop-2-enamide (PubChem CID 54290026) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-methyl-N-[3-[2-(2-methylpropanoyl)hydrazinyl]propyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[3-[2-(2-methylpropanoyl)hydrazinyl]propyl]prop-2-enamide
PubChem CID54290026
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-methyl-N-[3-[2-(2-methylpropanoyl)hydrazinyl]propyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCCNNC(=O)C(C)C
InChIInChI=1S/C11H21N3O2/c1-8(2)10(15)12-6-5-7-13-14-11(16)9(3)4/h9,13H,1,5-7H2,2-4H3,(H,12,15)(H,14,16)
InChIKeyRWVQVFVQUIVYAX-UHFFFAOYSA-N
XLogP0.35
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-methyl-N-[3-[2-(2-methylpropanoyl)hydrazinyl]propyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[3-[2-(2-methylpropanoyl)hydrazinyl]propyl]prop-2-enamide (CID 54290026) is 2-methyl-N-[3-[2-(2-methylpropanoyl)hydrazinyl]propyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[3-[2-(2-methylpropanoyl)hydrazinyl]propyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[3-[2-(2-methylpropanoyl)hydrazinyl]propyl]prop-2-enamide is C=C(C)C(=O)NCCCNNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[3-[2-(2-methylpropanoyl)hydrazinyl]propyl]prop-2-enamide?
The InChIKey is RWVQVFVQUIVYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(2)10(15)12-6-5-7-13-14-11(16)9(3)4/h9,13H,1,5-7H2,2-4H3,(H,12,15)(H,14,16).
What are the key properties of 2-methyl-N-[3-[2-(2-methylpropanoyl)hydrazinyl]propyl]prop-2-enamide?
2-methyl-N-[3-[2-(2-methylpropanoyl)hydrazinyl]propyl]prop-2-enamide has a molecular weight of 227.31 g/mol, XLogP of 0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[2-(2-methylpropanoyl)hydrazinyl]propyl]prop-2-enamide is sourced from PubChem (CID 54290026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).