(2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol

C6H11NO3 — CID 14937987

IUPAC(2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol
SMILESC/C(CO)=N\OCC1CO1
InChIInChI=1S/C6H11NO3/c1-5(2-8)7-10-4-6-3-9-6/h6,8H,2-4H2,1H3/b7-5+
InChIKeyCAPPUHCZCXVVAY-FNORWQNLSA-N
MW145.16 g/mol
LogP-0.23
Rot. Bonds4

About (2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol

(2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol (PubChem CID 14937987) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol.

Molecular Properties

Compound Name(2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol
PubChem CID14937987
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol
SMILESC/C(CO)=N\OCC1CO1
InChIInChI=1S/C6H11NO3/c1-5(2-8)7-10-4-6-3-9-6/h6,8H,2-4H2,1H3/b7-5+
InChIKeyCAPPUHCZCXVVAY-FNORWQNLSA-N
XLogP-0.23
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol?
The IUPAC name of (2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol (CID 14937987) is (2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol.
What is the SMILES notation for (2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol?
The canonical SMILES for (2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol is C/C(CO)=N\OCC1CO1.
What is the InChIKey of (2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol?
The InChIKey is CAPPUHCZCXVVAY-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(2-8)7-10-4-6-3-9-6/h6,8H,2-4H2,1H3/b7-5+.
What are the key properties of (2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol?
(2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol has a molecular weight of 145.16 g/mol, XLogP of -0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(oxiran-2-ylmethoxyimino)propan-1-ol is sourced from PubChem (CID 14937987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).