(Z)-4-methoxy-2-methyliminopent-3-en-1-ol

C7H13NO2 — CID 126581936

IUPAC(Z)-4-methoxy-2-methyliminopent-3-en-1-ol
SMILESC/N=C(/C=C(/C)OC)CO
InChIInChI=1S/C7H13NO2/c1-6(10-3)4-7(5-9)8-2/h4,9H,5H2,1-3H3/b6-4-,8-7-
InChIKeyFDASAKBUUZKRDK-MOIRPGTBSA-N
MW143.19 g/mol
LogP0.60
Rot. Bonds3

About (Z)-4-methoxy-2-methyliminopent-3-en-1-ol

(Z)-4-methoxy-2-methyliminopent-3-en-1-ol (PubChem CID 126581936) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (Z)-4-methoxy-2-methyliminopent-3-en-1-ol.

Molecular Properties

Compound Name(Z)-4-methoxy-2-methyliminopent-3-en-1-ol
PubChem CID126581936
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(Z)-4-methoxy-2-methyliminopent-3-en-1-ol
SMILESC/N=C(/C=C(/C)OC)CO
InChIInChI=1S/C7H13NO2/c1-6(10-3)4-7(5-9)8-2/h4,9H,5H2,1-3H3/b6-4-,8-7-
InChIKeyFDASAKBUUZKRDK-MOIRPGTBSA-N
XLogP0.60
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-methoxy-2-methyliminopent-3-en-1-ol?
The IUPAC name of (Z)-4-methoxy-2-methyliminopent-3-en-1-ol (CID 126581936) is (Z)-4-methoxy-2-methyliminopent-3-en-1-ol.
What is the SMILES notation for (Z)-4-methoxy-2-methyliminopent-3-en-1-ol?
The canonical SMILES for (Z)-4-methoxy-2-methyliminopent-3-en-1-ol is C/N=C(/C=C(/C)OC)CO.
What is the InChIKey of (Z)-4-methoxy-2-methyliminopent-3-en-1-ol?
The InChIKey is FDASAKBUUZKRDK-MOIRPGTBSA-N. The full InChI is InChI=1S/C7H13NO2/c1-6(10-3)4-7(5-9)8-2/h4,9H,5H2,1-3H3/b6-4-,8-7-.
What are the key properties of (Z)-4-methoxy-2-methyliminopent-3-en-1-ol?
(Z)-4-methoxy-2-methyliminopent-3-en-1-ol has a molecular weight of 143.19 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methoxy-2-methyliminopent-3-en-1-ol is sourced from PubChem (CID 126581936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).