N'-hydroxy-2-(2-oxopyrrolidin-1-yl)propanimidamide

C7H13N3O2 — CID 3126313

IUPACN'-hydroxy-2-(2-oxopyrrolidin-1-yl)propanimidamide
SMILESCC(C(N)=NO)N1CCCC1=O
InChIInChI=1S/C7H13N3O2/c1-5(7(8)9-12)10-4-2-3-6(10)11/h5,12H,2-4H2,1H3,(H2,8,9)
InChIKeyDIHRJCILLJBVPJ-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.26
Rot. Bonds2

About N'-hydroxy-2-(2-oxopyrrolidin-1-yl)propanimidamide

N'-hydroxy-2-(2-oxopyrrolidin-1-yl)propanimidamide (PubChem CID 3126313) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is N'-hydroxy-2-(2-oxopyrrolidin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-oxopyrrolidin-1-yl)propanimidamide
PubChem CID3126313
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC NameN'-hydroxy-2-(2-oxopyrrolidin-1-yl)propanimidamide
SMILESCC(C(N)=NO)N1CCCC1=O
InChIInChI=1S/C7H13N3O2/c1-5(7(8)9-12)10-4-2-3-6(10)11/h5,12H,2-4H2,1H3,(H2,8,9)
InChIKeyDIHRJCILLJBVPJ-UHFFFAOYSA-N
XLogP-0.26
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 ≤ 5-0.26
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-2-(2-oxopyrrolidin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-2-(2-oxopyrrolidin-1-yl)propanimidamide (CID 3126313) is N'-hydroxy-2-(2-oxopyrrolidin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-2-(2-oxopyrrolidin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-2-(2-oxopyrrolidin-1-yl)propanimidamide is CC(C(N)=NO)N1CCCC1=O.
What is the InChIKey of N'-hydroxy-2-(2-oxopyrrolidin-1-yl)propanimidamide?
The InChIKey is DIHRJCILLJBVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-5(7(8)9-12)10-4-2-3-6(10)11/h5,12H,2-4H2,1H3,(H2,8,9).
What are the key properties of N'-hydroxy-2-(2-oxopyrrolidin-1-yl)propanimidamide?
N'-hydroxy-2-(2-oxopyrrolidin-1-yl)propanimidamide has a molecular weight of 171.20 g/mol, XLogP of -0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-oxopyrrolidin-1-yl)propanimidamide is sourced from PubChem (CID 3126313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).