(Z)-2-(methylamino)prop-1-ene-1,3-diol

C4H9NO2 — CID 131969470

IUPAC(Z)-2-(methylamino)prop-1-ene-1,3-diol
SMILESCN/C(=C\O)CO
InChIInChI=1S/C4H9NO2/c1-5-4(2-6)3-7/h2,5-7H,3H2,1H3/b4-2-
InChIKeyWBCSSCHOTNRZJM-RQOWECAXSA-N
MW103.12 g/mol
LogP-0.40
Rot. Bonds2

About (Z)-2-(methylamino)prop-1-ene-1,3-diol

(Z)-2-(methylamino)prop-1-ene-1,3-diol (PubChem CID 131969470) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is (Z)-2-(methylamino)prop-1-ene-1,3-diol.

Molecular Properties

Compound Name(Z)-2-(methylamino)prop-1-ene-1,3-diol
PubChem CID131969470
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name(Z)-2-(methylamino)prop-1-ene-1,3-diol
SMILESCN/C(=C\O)CO
InChIInChI=1S/C4H9NO2/c1-5-4(2-6)3-7/h2,5-7H,3H2,1H3/b4-2-
InChIKeyWBCSSCHOTNRZJM-RQOWECAXSA-N
XLogP-0.40
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.40
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 (Z)-2-(methylamino)prop-1-ene-1,3-diol?
The IUPAC name of (Z)-2-(methylamino)prop-1-ene-1,3-diol (CID 131969470) is (Z)-2-(methylamino)prop-1-ene-1,3-diol.
What is the SMILES notation for (Z)-2-(methylamino)prop-1-ene-1,3-diol?
The canonical SMILES for (Z)-2-(methylamino)prop-1-ene-1,3-diol is CN/C(=C\O)CO.
What is the InChIKey of (Z)-2-(methylamino)prop-1-ene-1,3-diol?
The InChIKey is WBCSSCHOTNRZJM-RQOWECAXSA-N. The full InChI is InChI=1S/C4H9NO2/c1-5-4(2-6)3-7/h2,5-7H,3H2,1H3/b4-2-.
What are the key properties of (Z)-2-(methylamino)prop-1-ene-1,3-diol?
(Z)-2-(methylamino)prop-1-ene-1,3-diol has a molecular weight of 103.12 g/mol, XLogP of -0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methylamino)prop-1-ene-1,3-diol is sourced from PubChem (CID 131969470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).