formamide;N-pentan-3-ylidenehydroxylamine

C6H14N2O2 — CID 158590176

IUPACformamide;N-pentan-3-ylidenehydroxylamine
SMILESCCC(CC)=NO.NC=O
InChIInChI=1S/C5H11NO.CH3NO/c1-3-5(4-2)6-7;2-1-3/h7H,3-4H2,1-2H3;1H,(H2,2,3)
InChIKeyHUIQSJNIDKEXMG-UHFFFAOYSA-N
MW146.19 g/mol
LogP0.74
Rot. Bonds2

About formamide;N-pentan-3-ylidenehydroxylamine

formamide;N-pentan-3-ylidenehydroxylamine (PubChem CID 158590176) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is formamide;N-pentan-3-ylidenehydroxylamine.

Molecular Properties

Compound Nameformamide;N-pentan-3-ylidenehydroxylamine
PubChem CID158590176
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Nameformamide;N-pentan-3-ylidenehydroxylamine
SMILESCCC(CC)=NO.NC=O
InChIInChI=1S/C5H11NO.CH3NO/c1-3-5(4-2)6-7;2-1-3/h7H,3-4H2,1-2H3;1H,(H2,2,3)
InChIKeyHUIQSJNIDKEXMG-UHFFFAOYSA-N
XLogP0.74
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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 formamide;N-pentan-3-ylidenehydroxylamine?
The IUPAC name of formamide;N-pentan-3-ylidenehydroxylamine (CID 158590176) is formamide;N-pentan-3-ylidenehydroxylamine.
What is the SMILES notation for formamide;N-pentan-3-ylidenehydroxylamine?
The canonical SMILES for formamide;N-pentan-3-ylidenehydroxylamine is CCC(CC)=NO.NC=O.
What is the InChIKey of formamide;N-pentan-3-ylidenehydroxylamine?
The InChIKey is HUIQSJNIDKEXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.CH3NO/c1-3-5(4-2)6-7;2-1-3/h7H,3-4H2,1-2H3;1H,(H2,2,3).
What are the key properties of formamide;N-pentan-3-ylidenehydroxylamine?
formamide;N-pentan-3-ylidenehydroxylamine has a molecular weight of 146.19 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;N-pentan-3-ylidenehydroxylamine is sourced from PubChem (CID 158590176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).