(NE)-N-propylidenehydroxylamine

C3H7NO — CID 5324471

IUPAC(NE)-N-propylidenehydroxylamine
SMILESCC/C=N/O
InChIInChI=1S/C3H7NO/c1-2-3-4-5/h3,5H,2H2,1H3/b4-3+
InChIKeyIFDZZSXEPSSHNC-ONEGZZNKSA-N
MW73.09 g/mol
LogP0.86
Rot. Bonds1

About (NE)-N-propylidenehydroxylamine

(NE)-N-propylidenehydroxylamine (PubChem CID 5324471) has the molecular formula C3H7NO and a molecular weight of 73.09 g/mol. Its IUPAC name is (NE)-N-propylidenehydroxylamine.

Molecular Properties

Compound Name(NE)-N-propylidenehydroxylamine
PubChem CID5324471
Molecular FormulaC3H7NO
Molecular Weight73.09 g/mol
Exact Mass73.05
IUPAC Name(NE)-N-propylidenehydroxylamine
SMILESCC/C=N/O
InChIInChI=1S/C3H7NO/c1-2-3-4-5/h3,5H,2H2,1H3/b4-3+
InChIKeyIFDZZSXEPSSHNC-ONEGZZNKSA-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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Related Compounds

Aldoxime
CID 7863
Butanal, oxime
CID 8069
Acetaldehyde oxime, (1E)-
CID 5324279
Butyraldoxime, (E)-
CID 5324278
Butyraldoxime, (Z)-
CID 5324277
Propionaldehyde oxime
CID 641641
(1z)-Propanal Oxime
CID 5324472
(Z)-acetaldehyde oxime
CID 5324280
Pentanal, oxime
CID 9601699
Valeraldoxime
CID 5365331
N-Pentylidenehydroxylamine
CID 547701
(NE)-N-[(3E)-3-hydroxyiminopropylidene]hydroxylamine
CID 12331699

Frequently Asked Questions

What is the IUPAC name of (NE)-N-propylidenehydroxylamine?
The IUPAC name of (NE)-N-propylidenehydroxylamine (CID 5324471) is (NE)-N-propylidenehydroxylamine.
What is the SMILES notation for (NE)-N-propylidenehydroxylamine?
The canonical SMILES for (NE)-N-propylidenehydroxylamine is CC/C=N/O.
What is the InChIKey of (NE)-N-propylidenehydroxylamine?
The InChIKey is IFDZZSXEPSSHNC-ONEGZZNKSA-N. The full InChI is InChI=1S/C3H7NO/c1-2-3-4-5/h3,5H,2H2,1H3/b4-3+.
What are the key properties of (NE)-N-propylidenehydroxylamine?
(NE)-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 (NE)-N-propylidenehydroxylamine is sourced from PubChem (CID 5324471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).