N-[3-(ethylideneamino)-2-oxopropyl]acetamide

C7H12N2O2 — CID 162299546

IUPACN-[3-(ethylideneamino)-2-oxopropyl]acetamide
SMILESC/C=N/CC(=O)CNC(C)=O
InChIInChI=1S/C7H12N2O2/c1-3-8-4-7(11)5-9-6(2)10/h3H,4-5H2,1-2H3,(H,9,10)/b8-3+
InChIKeyLLTQDGIEFJUAEI-FPYGCLRLSA-N
MW156.19 g/mol
LogP-0.22
Rot. Bonds4

About N-[3-(ethylideneamino)-2-oxopropyl]acetamide

N-[3-(ethylideneamino)-2-oxopropyl]acetamide (PubChem CID 162299546) has the molecular formula C7H12N2O2 and a molecular weight of 156.19 g/mol. Its IUPAC name is N-[3-(ethylideneamino)-2-oxopropyl]acetamide.

Molecular Properties

Compound NameN-[3-(ethylideneamino)-2-oxopropyl]acetamide
PubChem CID162299546
Molecular FormulaC7H12N2O2
Molecular Weight156.19 g/mol
Exact Mass156.09
IUPAC NameN-[3-(ethylideneamino)-2-oxopropyl]acetamide
SMILESC/C=N/CC(=O)CNC(C)=O
InChIInChI=1S/C7H12N2O2/c1-3-8-4-7(11)5-9-6(2)10/h3H,4-5H2,1-2H3,(H,9,10)/b8-3+
InChIKeyLLTQDGIEFJUAEI-FPYGCLRLSA-N
XLogP-0.22
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylideneamino)-2-oxopropyl]acetamide?
The IUPAC name of N-[3-(ethylideneamino)-2-oxopropyl]acetamide (CID 162299546) is N-[3-(ethylideneamino)-2-oxopropyl]acetamide.
What is the SMILES notation for N-[3-(ethylideneamino)-2-oxopropyl]acetamide?
The canonical SMILES for N-[3-(ethylideneamino)-2-oxopropyl]acetamide is C/C=N/CC(=O)CNC(C)=O.
What is the InChIKey of N-[3-(ethylideneamino)-2-oxopropyl]acetamide?
The InChIKey is LLTQDGIEFJUAEI-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H12N2O2/c1-3-8-4-7(11)5-9-6(2)10/h3H,4-5H2,1-2H3,(H,9,10)/b8-3+.
What are the key properties of N-[3-(ethylideneamino)-2-oxopropyl]acetamide?
N-[3-(ethylideneamino)-2-oxopropyl]acetamide has a molecular weight of 156.19 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylideneamino)-2-oxopropyl]acetamide is sourced from PubChem (CID 162299546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).