N-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide

C7H13NO3 — CID 140764494

IUPACN-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)(O)CO
InChIInChI=1S/C7H13NO3/c1-5(2)6(10)8-7(3,11)4-9/h9,11H,1,4H2,2-3H3,(H,8,10)
InChIKeyCEBMNAXNAUZOCW-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.62
Rot. Bonds3

About N-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide

N-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide (PubChem CID 140764494) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide
PubChem CID140764494
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)(O)CO
InChIInChI=1S/C7H13NO3/c1-5(2)6(10)8-7(3,11)4-9/h9,11H,1,4H2,2-3H3,(H,8,10)
InChIKeyCEBMNAXNAUZOCW-UHFFFAOYSA-N
XLogP-0.62
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.62
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-Propenamide, N-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]-2-methyl-
CID 6452178
N-(1-Hydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide
CID 19357498
N-(1,3-dihydroxy-2-methylpropan-2-yl)-2-methylprop-2-enamide
CID 19357482
2-methyl-N-(1,2,3-trihydroxypropan-2-yl)prop-2-enamide
CID 19428817
N-(1,2-dihydroxypropyl)-2-methylprop-2-enamide
CID 19782340
N-(1,2-dihydroxyethyl)-2-methylprop-2-enamide
CID 88801162
N-(3-hydroxy-2-methylbutan-2-yl)-2-methylprop-2-enamide
CID 140107215
N-(3,4-dihydroxy-2-methylbutan-2-yl)-2-methylprop-2-enamide
CID 140227479
2-methyl-N-(1,2,3-trihydroxypropan-2-yl)but-2-enamide
CID 173289792

Frequently Asked Questions

What is the IUPAC name of N-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide (CID 140764494) is N-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)(O)CO.
What is the InChIKey of N-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide?
The InChIKey is CEBMNAXNAUZOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(2)6(10)8-7(3,11)4-9/h9,11H,1,4H2,2-3H3,(H,8,10).
What are the key properties of N-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide?
N-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide has a molecular weight of 159.18 g/mol, XLogP of -0.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dihydroxypropan-2-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 140764494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).