3-(but-3-enylamino)propane-1,2-diol

C7H15NO2 — CID 66175706

IUPAC3-(but-3-enylamino)propane-1,2-diol
SMILESC=CCCNCC(O)CO
InChIInChI=1S/C7H15NO2/c1-2-3-4-8-5-7(10)6-9/h2,7-10H,1,3-6H2
InChIKeyUIYRSTALTYHMDM-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.49
Rot. Bonds6

About 3-(but-3-enylamino)propane-1,2-diol

3-(but-3-enylamino)propane-1,2-diol (PubChem CID 66175706) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 3-(but-3-enylamino)propane-1,2-diol.

Molecular Properties

Compound Name3-(but-3-enylamino)propane-1,2-diol
PubChem CID66175706
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name3-(but-3-enylamino)propane-1,2-diol
SMILESC=CCCNCC(O)CO
InChIInChI=1S/C7H15NO2/c1-2-3-4-8-5-7(10)6-9/h2,7-10H,1,3-6H2
InChIKeyUIYRSTALTYHMDM-UHFFFAOYSA-N
XLogP-0.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
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 3-(but-3-enylamino)propane-1,2-diol?
The IUPAC name of 3-(but-3-enylamino)propane-1,2-diol (CID 66175706) is 3-(but-3-enylamino)propane-1,2-diol.
What is the SMILES notation for 3-(but-3-enylamino)propane-1,2-diol?
The canonical SMILES for 3-(but-3-enylamino)propane-1,2-diol is C=CCCNCC(O)CO.
What is the InChIKey of 3-(but-3-enylamino)propane-1,2-diol?
The InChIKey is UIYRSTALTYHMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-3-4-8-5-7(10)6-9/h2,7-10H,1,3-6H2.
What are the key properties of 3-(but-3-enylamino)propane-1,2-diol?
3-(but-3-enylamino)propane-1,2-diol has a molecular weight of 145.20 g/mol, XLogP of -0.49, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(but-3-enylamino)propane-1,2-diol is sourced from PubChem (CID 66175706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).