N-[(2Z)-2-[[C-methyl-N-(2-oxopropyl)carbonimidoyl]hydrazinylidene]propyl]acetamide

C10H18N4O2 — CID 6017604

IUPACN-[(2Z)-2-[[C-methyl-N-(2-oxopropyl)carbonimidoyl]hydrazinylidene]propyl]acetamide
SMILESCC(=O)C/N=C(\C)N/N=C(/C)CNC(C)=O
InChIInChI=1S/C10H18N4O2/c1-7(5-12-10(4)16)13-14-9(3)11-6-8(2)15/h5-6H2,1-4H3,(H,11,14)(H,12,16)/b13-7-
InChIKeyWBKDUWAFNJWPAU-QPEQYQDCSA-N
MW226.28 g/mol
LogP0.10
Rot. Bonds5

About N-[(2Z)-2-[[C-methyl-N-(2-oxopropyl)carbonimidoyl]hydrazinylidene]propyl]acetamide

N-[(2Z)-2-[[C-methyl-N-(2-oxopropyl)carbonimidoyl]hydrazinylidene]propyl]acetamide (PubChem CID 6017604) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[(2Z)-2-[[C-methyl-N-(2-oxopropyl)carbonimidoyl]hydrazinylidene]propyl]acetamide.

Molecular Properties

Compound NameN-[(2Z)-2-[[C-methyl-N-(2-oxopropyl)carbonimidoyl]hydrazinylidene]propyl]acetamide
PubChem CID6017604
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC NameN-[(2Z)-2-[[C-methyl-N-(2-oxopropyl)carbonimidoyl]hydrazinylidene]propyl]acetamide
SMILESCC(=O)C/N=C(\C)N/N=C(/C)CNC(C)=O
InChIInChI=1S/C10H18N4O2/c1-7(5-12-10(4)16)13-14-9(3)11-6-8(2)15/h5-6H2,1-4H3,(H,11,14)(H,12,16)/b13-7-
InChIKeyWBKDUWAFNJWPAU-QPEQYQDCSA-N
XLogP0.10
TPSA82.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[(2Z)-2-[[C-methyl-N-(2-oxopropyl)carbonimidoyl]hydrazinylidene]propyl]acetamide?
The IUPAC name of N-[(2Z)-2-[[C-methyl-N-(2-oxopropyl)carbonimidoyl]hydrazinylidene]propyl]acetamide (CID 6017604) is N-[(2Z)-2-[[C-methyl-N-(2-oxopropyl)carbonimidoyl]hydrazinylidene]propyl]acetamide.
What is the SMILES notation for N-[(2Z)-2-[[C-methyl-N-(2-oxopropyl)carbonimidoyl]hydrazinylidene]propyl]acetamide?
The canonical SMILES for N-[(2Z)-2-[[C-methyl-N-(2-oxopropyl)carbonimidoyl]hydrazinylidene]propyl]acetamide is CC(=O)C/N=C(\C)N/N=C(/C)CNC(C)=O.
What is the InChIKey of N-[(2Z)-2-[[C-methyl-N-(2-oxopropyl)carbonimidoyl]hydrazinylidene]propyl]acetamide?
The InChIKey is WBKDUWAFNJWPAU-QPEQYQDCSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7(5-12-10(4)16)13-14-9(3)11-6-8(2)15/h5-6H2,1-4H3,(H,11,14)(H,12,16)/b13-7-.
What are the key properties of N-[(2Z)-2-[[C-methyl-N-(2-oxopropyl)carbonimidoyl]hydrazinylidene]propyl]acetamide?
N-[(2Z)-2-[[C-methyl-N-(2-oxopropyl)carbonimidoyl]hydrazinylidene]propyl]acetamide has a molecular weight of 226.28 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2Z)-2-[[C-methyl-N-(2-oxopropyl)carbonimidoyl]hydrazinylidene]propyl]acetamide is sourced from PubChem (CID 6017604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).