1-cyclopropyl-N-hydroxymethanimine oxide

C4H7NO2 — CID 163593595

IUPAC1-cyclopropyl-N-hydroxymethanimine oxide
SMILES[O-]/[N+](O)=C\C1CC1
InChIInChI=1S/C4H7NO2/c6-5(7)3-4-1-2-4/h3-4H,1-2H2,(H,6,7)
InChIKeyGROMZCCDJIOWLP-UHFFFAOYSA-N
MW101.11 g/mol
LogP0.37
Rot. Bonds1

About 1-cyclopropyl-N-hydroxymethanimine oxide

1-cyclopropyl-N-hydroxymethanimine oxide (PubChem CID 163593595) has the molecular formula C4H7NO2 and a molecular weight of 101.11 g/mol. Its IUPAC name is 1-cyclopropyl-N-hydroxymethanimine oxide.

Molecular Properties

Compound Name1-cyclopropyl-N-hydroxymethanimine oxide
PubChem CID163593595
Molecular FormulaC4H7NO2
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Name1-cyclopropyl-N-hydroxymethanimine oxide
SMILES[O-]/[N+](O)=C\C1CC1
InChIInChI=1S/C4H7NO2/c6-5(7)3-4-1-2-4/h3-4H,1-2H2,(H,6,7)
InChIKeyGROMZCCDJIOWLP-UHFFFAOYSA-N
XLogP0.37
TPSA46.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 50.37
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 1-cyclopropyl-N-hydroxymethanimine oxide?
The IUPAC name of 1-cyclopropyl-N-hydroxymethanimine oxide (CID 163593595) is 1-cyclopropyl-N-hydroxymethanimine oxide.
What is the SMILES notation for 1-cyclopropyl-N-hydroxymethanimine oxide?
The canonical SMILES for 1-cyclopropyl-N-hydroxymethanimine oxide is [O-]/[N+](O)=C\C1CC1.
What is the InChIKey of 1-cyclopropyl-N-hydroxymethanimine oxide?
The InChIKey is GROMZCCDJIOWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2/c6-5(7)3-4-1-2-4/h3-4H,1-2H2,(H,6,7).
What are the key properties of 1-cyclopropyl-N-hydroxymethanimine oxide?
1-cyclopropyl-N-hydroxymethanimine oxide has a molecular weight of 101.11 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-hydroxymethanimine oxide is sourced from PubChem (CID 163593595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).