1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide

C12H23N3O2 — CID 104889562

IUPAC1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
SMILESCC1(C)CCC(CN2CCCC2C(N)=NO)O1
InChIInChI=1S/C12H23N3O2/c1-12(2)6-5-9(17-12)8-15-7-3-4-10(15)11(13)14-16/h9-10,16H,3-8H2,1-2H3,(H2,13,14)
InChIKeyKEEMTZFJDYRKJR-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.15
Rot. Bonds3

About 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide

1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide (PubChem CID 104889562) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
PubChem CID104889562
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
SMILESCC1(C)CCC(CN2CCCC2C(N)=NO)O1
InChIInChI=1S/C12H23N3O2/c1-12(2)6-5-9(17-12)8-15-7-3-4-10(15)11(13)14-16/h9-10,16H,3-8H2,1-2H3,(H2,13,14)
InChIKeyKEEMTZFJDYRKJR-UHFFFAOYSA-N
XLogP1.15
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide?
The IUPAC name of 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide (CID 104889562) is 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide.
What is the SMILES notation for 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide?
The canonical SMILES for 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide is CC1(C)CCC(CN2CCCC2C(N)=NO)O1.
What is the InChIKey of 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide?
The InChIKey is KEEMTZFJDYRKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2)6-5-9(17-12)8-15-7-3-4-10(15)11(13)14-16/h9-10,16H,3-8H2,1-2H3,(H2,13,14).
What are the key properties of 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide?
1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide has a molecular weight of 241.33 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5-dimethyloxolan-2-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide is sourced from PubChem (CID 104889562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).