(E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol

C7H13NO2 — CID 18683851

IUPAC(E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol
SMILESCN(C/C=C/O)C/C=C/O
InChIInChI=1S/C7H13NO2/c1-8(4-2-6-9)5-3-7-10/h2-3,6-7,9-10H,4-5H2,1H3/b6-2+,7-3+
InChIKeySJDAWJFXZBJMDA-YPCIICBESA-N
MW143.19 g/mol
LogP1.06
Rot. Bonds4

About (E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol

(E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol (PubChem CID 18683851) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is (E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol.

Molecular Properties

Compound Name(E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol
PubChem CID18683851
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name(E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol
SMILESCN(C/C=C/O)C/C=C/O
InChIInChI=1S/C7H13NO2/c1-8(4-2-6-9)5-3-7-10/h2-3,6-7,9-10H,4-5H2,1H3/b6-2+,7-3+
InChIKeySJDAWJFXZBJMDA-YPCIICBESA-N
XLogP1.06
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.06
H-Bond Donors ≤ 52
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 (E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol?
The IUPAC name of (E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol (CID 18683851) is (E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol.
What is the SMILES notation for (E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol?
The canonical SMILES for (E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol is CN(C/C=C/O)C/C=C/O.
What is the InChIKey of (E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol?
The InChIKey is SJDAWJFXZBJMDA-YPCIICBESA-N. The full InChI is InChI=1S/C7H13NO2/c1-8(4-2-6-9)5-3-7-10/h2-3,6-7,9-10H,4-5H2,1H3/b6-2+,7-3+.
What are the key properties of (E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol?
(E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol has a molecular weight of 143.19 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[[(E)-3-hydroxyprop-2-enyl]-methylamino]prop-1-en-1-ol is sourced from PubChem (CID 18683851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).