N'-hydroxypentanimidamide

C5H12N2O — CID 4136427

IUPACN'-hydroxypentanimidamide
SMILESCCCCC(N)=NO
InChIInChI=1S/C5H12N2O/c1-2-3-4-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7)
InChIKeyRRNLVICCUZTJOW-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.92
Rot. Bonds3

About N'-hydroxypentanimidamide

N'-hydroxypentanimidamide (PubChem CID 4136427) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is N'-hydroxypentanimidamide.

Molecular Properties

Compound NameN'-hydroxypentanimidamide
PubChem CID4136427
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC NameN'-hydroxypentanimidamide
SMILESCCCCC(N)=NO
InChIInChI=1S/C5H12N2O/c1-2-3-4-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7)
InChIKeyRRNLVICCUZTJOW-UHFFFAOYSA-N
XLogP0.92
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-hydroxypentanimidamide?
The IUPAC name of N'-hydroxypentanimidamide (CID 4136427) is N'-hydroxypentanimidamide.
What is the SMILES notation for N'-hydroxypentanimidamide?
The canonical SMILES for N'-hydroxypentanimidamide is CCCCC(N)=NO.
What is the InChIKey of N'-hydroxypentanimidamide?
The InChIKey is RRNLVICCUZTJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O/c1-2-3-4-5(6)7-8/h8H,2-4H2,1H3,(H2,6,7).
What are the key properties of N'-hydroxypentanimidamide?
N'-hydroxypentanimidamide has a molecular weight of 116.16 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxypentanimidamide is sourced from PubChem (CID 4136427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).