1-(dimethoxyamino)but-3-en-2-ol

C6H13NO3 — CID 150560801

IUPAC1-(dimethoxyamino)but-3-en-2-ol
SMILESC=CC(O)CN(OC)OC
InChIInChI=1S/C6H13NO3/c1-4-6(8)5-7(9-2)10-3/h4,6,8H,1,5H2,2-3H3
InChIKeyIJUSQXVHYNSXND-UHFFFAOYSA-N
MW147.17 g/mol
LogP-0.04
Rot. Bonds5

About 1-(dimethoxyamino)but-3-en-2-ol

1-(dimethoxyamino)but-3-en-2-ol (PubChem CID 150560801) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 1-(dimethoxyamino)but-3-en-2-ol.

Molecular Properties

Compound Name1-(dimethoxyamino)but-3-en-2-ol
PubChem CID150560801
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1-(dimethoxyamino)but-3-en-2-ol
SMILESC=CC(O)CN(OC)OC
InChIInChI=1S/C6H13NO3/c1-4-6(8)5-7(9-2)10-3/h4,6,8H,1,5H2,2-3H3
InChIKeyIJUSQXVHYNSXND-UHFFFAOYSA-N
XLogP-0.04
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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-(dimethoxyamino)but-3-en-2-ol?
The IUPAC name of 1-(dimethoxyamino)but-3-en-2-ol (CID 150560801) is 1-(dimethoxyamino)but-3-en-2-ol.
What is the SMILES notation for 1-(dimethoxyamino)but-3-en-2-ol?
The canonical SMILES for 1-(dimethoxyamino)but-3-en-2-ol is C=CC(O)CN(OC)OC.
What is the InChIKey of 1-(dimethoxyamino)but-3-en-2-ol?
The InChIKey is IJUSQXVHYNSXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4-6(8)5-7(9-2)10-3/h4,6,8H,1,5H2,2-3H3.
What are the key properties of 1-(dimethoxyamino)but-3-en-2-ol?
1-(dimethoxyamino)but-3-en-2-ol has a molecular weight of 147.17 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethoxyamino)but-3-en-2-ol is sourced from PubChem (CID 150560801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).