N-propylidenehydroxylamine

C3H7NO — CID 641641

IUPACN-propylidenehydroxylamine
SMILESCCC=NO
InChIInChI=1S/C3H7NO/c1-2-3-4-5/h3,5H,2H2,1H3
InChIKeyIFDZZSXEPSSHNC-UHFFFAOYSA-N
MW73.09 g/mol
LogP0.86
Rot. Bonds1

About N-propylidenehydroxylamine

N-propylidenehydroxylamine (PubChem CID 641641) has the molecular formula C3H7NO and a molecular weight of 73.09 g/mol. Its IUPAC name is N-propylidenehydroxylamine.

Molecular Properties

Compound NameN-propylidenehydroxylamine
PubChem CID641641
Molecular FormulaC3H7NO
Molecular Weight73.09 g/mol
Exact Mass73.05
IUPAC NameN-propylidenehydroxylamine
SMILESCCC=NO
InChIInChI=1S/C3H7NO/c1-2-3-4-5/h3,5H,2H2,1H3
InChIKeyIFDZZSXEPSSHNC-UHFFFAOYSA-N
XLogP0.86
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50073.09
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 N-propylidenehydroxylamine?
The IUPAC name of N-propylidenehydroxylamine (CID 641641) is N-propylidenehydroxylamine.
What is the SMILES notation for N-propylidenehydroxylamine?
The canonical SMILES for N-propylidenehydroxylamine is CCC=NO.
What is the InChIKey of N-propylidenehydroxylamine?
The InChIKey is IFDZZSXEPSSHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO/c1-2-3-4-5/h3,5H,2H2,1H3.
What are the key properties of N-propylidenehydroxylamine?
N-propylidenehydroxylamine has a molecular weight of 73.09 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylidenehydroxylamine is sourced from PubChem (CID 641641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).