(E)-4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide

C6H11NO3 — CID 22851151

IUPAC(E)-4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide
SMILESC/C(=C\CO)C(=O)NCO
InChIInChI=1S/C6H11NO3/c1-5(2-3-8)6(10)7-4-9/h2,8-9H,3-4H2,1H3,(H,7,10)/b5-2+
InChIKeyTVRPRUZABLTNDH-GORDUTHDSA-N
MW145.16 g/mol
LogP-1.01
Rot. Bonds3

About (E)-4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide

(E)-4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide (PubChem CID 22851151) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is (E)-4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide
PubChem CID22851151
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name(E)-4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide
SMILESC/C(=C\CO)C(=O)NCO
InChIInChI=1S/C6H11NO3/c1-5(2-3-8)6(10)7-4-9/h2,8-9H,3-4H2,1H3,(H,7,10)/b5-2+
InChIKeyTVRPRUZABLTNDH-GORDUTHDSA-N
XLogP-1.01
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methylolmethacrylamide
CID 70208
5-Hydroxy-3-methyl-3-pyrrolin-2-one
CID 5318696
Jatropham
CID 3080808
N,N-methylethanolmethacrylamide
CID 22483749
Tris-(hydroxymethyl)methyl-acrylamide
CID 22624785
(2S)-2-hydroxy-4-methyl-1,2-dihydropyrrol-5-one
CID 5325835
(2E)-4-hydroxy-N-methylbut-2-enamide
CID 20732816
N-(hydroxymethyl)-2-methylprop-2-enamide;hydrate
CID 21400156
4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide
CID 54336253
3-Methyl-4-(methylamino)-4-oxobut-2-enoic acid
CID 54548583
(Z)-3-methyl-4-(methylamino)-4-oxobut-2-enoic acid
CID 55287308
4-hydroxy-N-methylbut-2-enamide
CID 73702332

Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide?
The IUPAC name of (E)-4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide (CID 22851151) is (E)-4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide.
What is the SMILES notation for (E)-4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide?
The canonical SMILES for (E)-4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide is C/C(=C\CO)C(=O)NCO.
What is the InChIKey of (E)-4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide?
The InChIKey is TVRPRUZABLTNDH-GORDUTHDSA-N. The full InChI is InChI=1S/C6H11NO3/c1-5(2-3-8)6(10)7-4-9/h2,8-9H,3-4H2,1H3,(H,7,10)/b5-2+.
What are the key properties of (E)-4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide?
(E)-4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide has a molecular weight of 145.16 g/mol, XLogP of -1.01, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydroxy-N-(hydroxymethyl)-2-methylbut-2-enamide is sourced from PubChem (CID 22851151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).