(Z)-1-(hydroxymethylamino)prop-1-en-2-ol

C4H9NO2 — CID 148882519

IUPAC(Z)-1-(hydroxymethylamino)prop-1-en-2-ol
SMILESC/C(O)=C/NCO
InChIInChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h2,5-7H,3H2,1H3/b4-2-
InChIKeyPDIYFRZOQDHGGT-RQOWECAXSA-N
MW103.12 g/mol
LogP-0.05
Rot. Bonds2

About (Z)-1-(hydroxymethylamino)prop-1-en-2-ol

(Z)-1-(hydroxymethylamino)prop-1-en-2-ol (PubChem CID 148882519) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is (Z)-1-(hydroxymethylamino)prop-1-en-2-ol.

Molecular Properties

Compound Name(Z)-1-(hydroxymethylamino)prop-1-en-2-ol
PubChem CID148882519
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name(Z)-1-(hydroxymethylamino)prop-1-en-2-ol
SMILESC/C(O)=C/NCO
InChIInChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h2,5-7H,3H2,1H3/b4-2-
InChIKeyPDIYFRZOQDHGGT-RQOWECAXSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(Methylamino)prop-1-en-2-ol
CID 25201788
(Z)-1-(ethylamino)prop-1-en-2-ol
CID 88943856
(E)-1-(methylamino)prop-1-en-2-ol
CID 142634529
1-(2-Methylprop-1-enylamino)ethanol
CID 147649469
(2-Methylprop-1-enylamino)methanol
CID 151390276
(E)-1-(ethylamino)prop-1-en-2-ol
CID 166777426
1-(3-Hydroxypropylamino)prop-1-en-2-ol
CID 173462626
(Z)-1-(methylamino)prop-1-en-2-ol
CID 173498067
(Z)-1-(2-hydroxyethylamino)prop-1-en-2-ol
CID 101275159

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(hydroxymethylamino)prop-1-en-2-ol?
The IUPAC name of (Z)-1-(hydroxymethylamino)prop-1-en-2-ol (CID 148882519) is (Z)-1-(hydroxymethylamino)prop-1-en-2-ol.
What is the SMILES notation for (Z)-1-(hydroxymethylamino)prop-1-en-2-ol?
The canonical SMILES for (Z)-1-(hydroxymethylamino)prop-1-en-2-ol is C/C(O)=C/NCO.
What is the InChIKey of (Z)-1-(hydroxymethylamino)prop-1-en-2-ol?
The InChIKey is PDIYFRZOQDHGGT-RQOWECAXSA-N. The full InChI is InChI=1S/C4H9NO2/c1-4(7)2-5-3-6/h2,5-7H,3H2,1H3/b4-2-.
What are the key properties of (Z)-1-(hydroxymethylamino)prop-1-en-2-ol?
(Z)-1-(hydroxymethylamino)prop-1-en-2-ol has a molecular weight of 103.12 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(hydroxymethylamino)prop-1-en-2-ol is sourced from PubChem (CID 148882519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).