N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide

C8H17N3O2 — CID 76981272

IUPACN'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide
SMILESNC(CCCN1CCC(O)C1)=NO
InChIInChI=1S/C8H17N3O2/c9-8(10-13)2-1-4-11-5-3-7(12)6-11/h7,12-13H,1-6H2,(H2,9,10)
InChIKeyWAVRPFKVASSIQB-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.42
Rot. Bonds4

About N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide

N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide (PubChem CID 76981272) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide
PubChem CID76981272
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC NameN'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide
SMILESNC(CCCN1CCC(O)C1)=NO
InChIInChI=1S/C8H17N3O2/c9-8(10-13)2-1-4-11-5-3-7(12)6-11/h7,12-13H,1-6H2,(H2,9,10)
InChIKeyWAVRPFKVASSIQB-UHFFFAOYSA-N
XLogP-0.42
TPSA82.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
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 N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide?
The IUPAC name of N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide (CID 76981272) is N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide is NC(CCCN1CCC(O)C1)=NO.
What is the InChIKey of N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide?
The InChIKey is WAVRPFKVASSIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c9-8(10-13)2-1-4-11-5-3-7(12)6-11/h7,12-13H,1-6H2,(H2,9,10).
What are the key properties of N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide?
N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide has a molecular weight of 187.24 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(3-hydroxypyrrolidin-1-yl)butanimidamide is sourced from PubChem (CID 76981272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).