N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide

C6H11NO3 — CID 88801162

IUPACN-(1,2-dihydroxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(O)CO
InChIInChI=1S/C6H11NO3/c1-4(2)6(10)7-5(9)3-8/h5,8-9H,1,3H2,2H3,(H,7,10)
InChIKeyDIYYXNGGARQRFF-UHFFFAOYSA-N
MW145.16 g/mol
LogP-1.01
Rot. Bonds3

About N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide

N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide (PubChem CID 88801162) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1,2-dihydroxyethyl)-2-methylprop-2-enamide
PubChem CID88801162
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC NameN-(1,2-dihydroxyethyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(O)CO
InChIInChI=1S/C6H11NO3/c1-4(2)6(10)7-5(9)3-8/h5,8-9H,1,3H2,2H3,(H,7,10)
InChIKeyDIYYXNGGARQRFF-UHFFFAOYSA-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

2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
2-hydroxy-2-(2-methylprop-2-enoylamino)acetic acid
CID 18937473
3-hydroxy-3-(2-methylprop-2-enoylamino)propane-1-sulfonic acid
CID 54469633
2-methyl-N-(1,2,3,5-tetrahydroxy-4-methoxypentyl)prop-2-enamide
CID 176964347
2-methyl-N-[(2R,3S,4S,5R)-2,4,5,6-tetrahydroxy-1-oxohexan-3-yl]prop-2-enamide
CID 22858879
N-[hydroxy(methoxy)methyl]-2-methylprop-2-enamide
CID 54452734
N-[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]-2-methylprop-2-enamide
CID 88870162
[2,3-dihydroxy-1-(2-methylprop-2-enoylamino)propyl]-dimethyl-propylazanium chloride
CID 88595619
N-[(1S,2S)-1,3-dihydroxy-1-phenylpropan-2-yl]-2-methylprop-2-enamide
CID 101364759
2-methyl-N-[(1S)-1-sulfanylethyl]prop-2-enamide
CID 134338956
N-(1-chloropropyl)-2-methylprop-2-enamide
CID 23228242
bis(2-methylprop-2-enoylamino)methanesulfonate
CID 140789010

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide?
The IUPAC name of N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide (CID 88801162) is N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(O)CO.
What is the InChIKey of N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide?
The InChIKey is DIYYXNGGARQRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(2)6(10)7-5(9)3-8/h5,8-9H,1,3H2,2H3,(H,7,10).
What are the key properties of N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide?
N-(1,2-dihydroxyethyl)-2-methylprop-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 N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide is sourced from PubChem (CID 88801162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).