1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide

C10H13N3O3 — CID 77036430

IUPAC1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1C(=O)c1ccoc1
InChIInChI=1S/C10H13N3O3/c11-9(12-15)8-2-1-4-13(8)10(14)7-3-5-16-6-7/h3,5-6,8,15H,1-2,4H2,(H2,11,12)
InChIKeyYJGOZSVLPIJNBW-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.63
Rot. Bonds2

About 1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide

1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide (PubChem CID 77036430) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
PubChem CID77036430
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide
SMILESNC(=NO)C1CCCN1C(=O)c1ccoc1
InChIInChI=1S/C10H13N3O3/c11-9(12-15)8-2-1-4-13(8)10(14)7-3-5-16-6-7/h3,5-6,8,15H,1-2,4H2,(H2,11,12)
InChIKeyYJGOZSVLPIJNBW-UHFFFAOYSA-N
XLogP0.63
TPSA92.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.63
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-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The IUPAC name of 1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide (CID 77036430) is 1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide.
What is the SMILES notation for 1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The canonical SMILES for 1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide is NC(=NO)C1CCCN1C(=O)c1ccoc1.
What is the InChIKey of 1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide?
The InChIKey is YJGOZSVLPIJNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c11-9(12-15)8-2-1-4-13(8)10(14)7-3-5-16-6-7/h3,5-6,8,15H,1-2,4H2,(H2,11,12).
What are the key properties of 1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide?
1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide has a molecular weight of 223.23 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-N'-hydroxypyrrolidine-2-carboximidamide is sourced from PubChem (CID 77036430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).