3-(2-hydroxyprop-2-enylamino)prop-1-en-2-ol

C6H11NO2 — CID 87065169

IUPAC3-(2-hydroxyprop-2-enylamino)prop-1-en-2-ol
SMILESC=C(O)CNCC(=C)O
InChIInChI=1S/C6H11NO2/c1-5(8)3-7-4-6(2)9/h7-9H,1-4H2
InChIKeyFKRXQWCEKDUSQL-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.72
Rot. Bonds4

About 3-(2-hydroxyprop-2-enylamino)prop-1-en-2-ol

3-(2-hydroxyprop-2-enylamino)prop-1-en-2-ol (PubChem CID 87065169) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 3-(2-hydroxyprop-2-enylamino)prop-1-en-2-ol.

Molecular Properties

Compound Name3-(2-hydroxyprop-2-enylamino)prop-1-en-2-ol
PubChem CID87065169
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name3-(2-hydroxyprop-2-enylamino)prop-1-en-2-ol
SMILESC=C(O)CNCC(=C)O
InChIInChI=1S/C6H11NO2/c1-5(8)3-7-4-6(2)9/h7-9H,1-4H2
InChIKeyFKRXQWCEKDUSQL-UHFFFAOYSA-N
XLogP0.72
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyprop-2-enylamino)prop-1-en-2-ol?
The IUPAC name of 3-(2-hydroxyprop-2-enylamino)prop-1-en-2-ol (CID 87065169) is 3-(2-hydroxyprop-2-enylamino)prop-1-en-2-ol.
What is the SMILES notation for 3-(2-hydroxyprop-2-enylamino)prop-1-en-2-ol?
The canonical SMILES for 3-(2-hydroxyprop-2-enylamino)prop-1-en-2-ol is C=C(O)CNCC(=C)O.
What is the InChIKey of 3-(2-hydroxyprop-2-enylamino)prop-1-en-2-ol?
The InChIKey is FKRXQWCEKDUSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-5(8)3-7-4-6(2)9/h7-9H,1-4H2.
What are the key properties of 3-(2-hydroxyprop-2-enylamino)prop-1-en-2-ol?
3-(2-hydroxyprop-2-enylamino)prop-1-en-2-ol has a molecular weight of 129.16 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyprop-2-enylamino)prop-1-en-2-ol is sourced from PubChem (CID 87065169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).