N'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide

C7H13N3O2 — CID 76587960

IUPACN'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide
SMILESNC(CCN1CCCC1=O)=NO
InChIInChI=1S/C7H13N3O2/c8-6(9-12)3-5-10-4-1-2-7(10)11/h12H,1-5H2,(H2,8,9)
InChIKeyJGLHHGNVKBFHHO-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.25
Rot. Bonds3

About N'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide

N'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide (PubChem CID 76587960) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is N'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide
PubChem CID76587960
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC NameN'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide
SMILESNC(CCN1CCCC1=O)=NO
InChIInChI=1S/C7H13N3O2/c8-6(9-12)3-5-10-4-1-2-7(10)11/h12H,1-5H2,(H2,8,9)
InChIKeyJGLHHGNVKBFHHO-UHFFFAOYSA-N
XLogP-0.25
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
4-(2-oxoazepan-1-yl)butanamide
CID 90945049
1-(2-hydroxyiminopropyl)pyrrolidin-2-one
CID 72586532
2-(2-oxopyrrolidin-1-yl)ethylazanium
CID 7446746
1-(2-silylethyl)pyrrolidin-2-one
CID 154480854
azane;1-(2-bromoethyl)pyrrolidin-2-one
CID 174693933
1-[(3Z)-3-ethenylhexa-3,5-dienyl]pyrrolidin-2-one
CID 142459323
1-(22-hydroxydocosyl)pyrrolidin-2-one
CID 151557638
1-(4-aminobutyl)pyrrolidin-2-one;hydrochloride
CID 56604167
4-[3-(2-oxopiperidin-1-yl)propanoylamino]butanamide
CID 139517074
ethyl 3-(2-oxoazepan-1-yl)propanoate
CID 14922094

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide?
The IUPAC name of N'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide (CID 76587960) is N'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide is NC(CCN1CCCC1=O)=NO.
What is the InChIKey of N'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide?
The InChIKey is JGLHHGNVKBFHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c8-6(9-12)3-5-10-4-1-2-7(10)11/h12H,1-5H2,(H2,8,9).
What are the key properties of N'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide?
N'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide has a molecular weight of 171.20 g/mol, XLogP of -0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(2-oxopyrrolidin-1-yl)propanimidamide is sourced from PubChem (CID 76587960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).