2-oxo-N'-propylbutanimidamide

C7H14N2O — CID 174378007

IUPAC2-oxo-N'-propylbutanimidamide
SMILESCCC/N=C(\N)C(=O)CC
InChIInChI=1S/C7H14N2O/c1-3-5-9-7(8)6(10)4-2/h3-5H2,1-2H3,(H2,8,9)
InChIKeyATQPMWBWSIXHPG-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.73
Rot. Bonds4

About 2-oxo-N'-propylbutanimidamide

2-oxo-N'-propylbutanimidamide (PubChem CID 174378007) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 2-oxo-N'-propylbutanimidamide.

Molecular Properties

Compound Name2-oxo-N'-propylbutanimidamide
PubChem CID174378007
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name2-oxo-N'-propylbutanimidamide
SMILESCCC/N=C(\N)C(=O)CC
InChIInChI=1S/C7H14N2O/c1-3-5-9-7(8)6(10)4-2/h3-5H2,1-2H3,(H2,8,9)
InChIKeyATQPMWBWSIXHPG-UHFFFAOYSA-N
XLogP0.73
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.73
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 2-oxo-N'-propylbutanimidamide?
The IUPAC name of 2-oxo-N'-propylbutanimidamide (CID 174378007) is 2-oxo-N'-propylbutanimidamide.
What is the SMILES notation for 2-oxo-N'-propylbutanimidamide?
The canonical SMILES for 2-oxo-N'-propylbutanimidamide is CCC/N=C(\N)C(=O)CC.
What is the InChIKey of 2-oxo-N'-propylbutanimidamide?
The InChIKey is ATQPMWBWSIXHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-5-9-7(8)6(10)4-2/h3-5H2,1-2H3,(H2,8,9).
What are the key properties of 2-oxo-N'-propylbutanimidamide?
2-oxo-N'-propylbutanimidamide has a molecular weight of 142.20 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N'-propylbutanimidamide is sourced from PubChem (CID 174378007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).