N'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide

C7H13N3O2 — CID 2803610

IUPACN'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide
SMILESNC(CC(=O)N1CCCC1)=NO
InChIInChI=1S/C7H13N3O2/c8-6(9-12)5-7(11)10-3-1-2-4-10/h12H,1-5H2,(H2,8,9)
InChIKeyISUFAXRPGSQHIC-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.25
Rot. Bonds2

About N'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide

N'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide (PubChem CID 2803610) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is N'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide
PubChem CID2803610
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC NameN'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide
SMILESNC(CC(=O)N1CCCC1)=NO
InChIInChI=1S/C7H13N3O2/c8-6(9-12)5-7(11)10-3-1-2-4-10/h12H,1-5H2,(H2,8,9)
InChIKeyISUFAXRPGSQHIC-UHFFFAOYSA-N
XLogP-0.25
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 N'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide?
The IUPAC name of N'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide (CID 2803610) is N'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide.
What is the SMILES notation for N'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide?
The canonical SMILES for N'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide is NC(CC(=O)N1CCCC1)=NO.
What is the InChIKey of N'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide?
The InChIKey is ISUFAXRPGSQHIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-6(9-12)5-7(11)10-3-1-2-4-10/h12H,1-5H2,(H2,8,9).
What are the key properties of N'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide?
N'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide has a molecular weight of 171.20 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-oxo-3-pyrrolidin-1-ylpropanimidamide is sourced from PubChem (CID 2803610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).