N'-(2-oxopropyl)ethanimidamide

C5H10N2O — CID 59630572

IUPACN'-(2-oxopropyl)ethanimidamide
SMILESCC(=O)C/N=C(\C)N
InChIInChI=1S/C5H10N2O/c1-4(8)3-7-5(2)6/h3H2,1-2H3,(H2,6,7)
InChIKeyUXIXANDPTCAPOX-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.05
Rot. Bonds2

About N'-(2-oxopropyl)ethanimidamide

N'-(2-oxopropyl)ethanimidamide (PubChem CID 59630572) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N'-(2-oxopropyl)ethanimidamide.

Molecular Properties

Compound NameN'-(2-oxopropyl)ethanimidamide
PubChem CID59630572
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN'-(2-oxopropyl)ethanimidamide
SMILESCC(=O)C/N=C(\C)N
InChIInChI=1S/C5H10N2O/c1-4(8)3-7-5(2)6/h3H2,1-2H3,(H2,6,7)
InChIKeyUXIXANDPTCAPOX-UHFFFAOYSA-N
XLogP-0.05
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-oxopropyl)ethanimidamide?
The IUPAC name of N'-(2-oxopropyl)ethanimidamide (CID 59630572) is N'-(2-oxopropyl)ethanimidamide.
What is the SMILES notation for N'-(2-oxopropyl)ethanimidamide?
The canonical SMILES for N'-(2-oxopropyl)ethanimidamide is CC(=O)C/N=C(\C)N.
What is the InChIKey of N'-(2-oxopropyl)ethanimidamide?
The InChIKey is UXIXANDPTCAPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4(8)3-7-5(2)6/h3H2,1-2H3,(H2,6,7).
What are the key properties of N'-(2-oxopropyl)ethanimidamide?
N'-(2-oxopropyl)ethanimidamide has a molecular weight of 114.15 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-oxopropyl)ethanimidamide is sourced from PubChem (CID 59630572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).