1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol

C10H19NO2 — CID 23497911

IUPAC1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CNC(C)C=C
InChIInChI=1S/C10H19NO2/c1-4-6-13-8-10(12)7-11-9(3)5-2/h4-5,9-12H,1-2,6-8H2,3H3
InChIKeyBAOQHQLYMLTOKI-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.71
Rot. Bonds8

About 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol

1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol (PubChem CID 23497911) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol.

Molecular Properties

Compound Name1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol
PubChem CID23497911
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol
SMILESC=CCOCC(O)CNC(C)C=C
InChIInChI=1S/C10H19NO2/c1-4-6-13-8-10(12)7-11-9(3)5-2/h4-5,9-12H,1-2,6-8H2,3H3
InChIKeyBAOQHQLYMLTOKI-UHFFFAOYSA-N
XLogP0.71
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol?
The IUPAC name of 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol (CID 23497911) is 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol.
What is the SMILES notation for 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol?
The canonical SMILES for 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol is C=CCOCC(O)CNC(C)C=C.
What is the InChIKey of 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol?
The InChIKey is BAOQHQLYMLTOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-6-13-8-10(12)7-11-9(3)5-2/h4-5,9-12H,1-2,6-8H2,3H3.
What are the key properties of 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol?
1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol has a molecular weight of 185.27 g/mol, XLogP of 0.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol is sourced from PubChem (CID 23497911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).