(2E)-2-methoxyiminopentane-1,3-diol

C6H13NO3 — CID 177408186

IUPAC(2E)-2-methoxyiminopentane-1,3-diol
SMILESCCC(O)/C(CO)=N/OC
InChIInChI=1S/C6H13NO3/c1-3-6(9)5(4-8)7-10-2/h6,8-9H,3-4H2,1-2H3/b7-5+
InChIKeyLTQPRCPGAFHNSD-FNORWQNLSA-N
MW147.17 g/mol
LogP-0.25
Rot. Bonds4

About (2E)-2-methoxyiminopentane-1,3-diol

(2E)-2-methoxyiminopentane-1,3-diol (PubChem CID 177408186) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is (2E)-2-methoxyiminopentane-1,3-diol.

Molecular Properties

Compound Name(2E)-2-methoxyiminopentane-1,3-diol
PubChem CID177408186
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(2E)-2-methoxyiminopentane-1,3-diol
SMILESCCC(O)/C(CO)=N/OC
InChIInChI=1S/C6H13NO3/c1-3-6(9)5(4-8)7-10-2/h6,8-9H,3-4H2,1-2H3/b7-5+
InChIKeyLTQPRCPGAFHNSD-FNORWQNLSA-N
XLogP-0.25
TPSA62.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-methoxyiminopentane-1,3-diol?
The IUPAC name of (2E)-2-methoxyiminopentane-1,3-diol (CID 177408186) is (2E)-2-methoxyiminopentane-1,3-diol.
What is the SMILES notation for (2E)-2-methoxyiminopentane-1,3-diol?
The canonical SMILES for (2E)-2-methoxyiminopentane-1,3-diol is CCC(O)/C(CO)=N/OC.
What is the InChIKey of (2E)-2-methoxyiminopentane-1,3-diol?
The InChIKey is LTQPRCPGAFHNSD-FNORWQNLSA-N. The full InChI is InChI=1S/C6H13NO3/c1-3-6(9)5(4-8)7-10-2/h6,8-9H,3-4H2,1-2H3/b7-5+.
What are the key properties of (2E)-2-methoxyiminopentane-1,3-diol?
(2E)-2-methoxyiminopentane-1,3-diol has a molecular weight of 147.17 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyiminopentane-1,3-diol is sourced from PubChem (CID 177408186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).