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

C7H13NO3 — CID 19751194

IUPACN-(1,1-dihydroxypropan-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C(O)O
InChIInChI=1S/C7H13NO3/c1-4(2)6(9)8-5(3)7(10)11/h5,7,10-11H,1H2,2-3H3,(H,8,9)
InChIKeyOYVZBFJZEIECJT-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.62
Rot. Bonds3

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

N-(1,1-dihydroxypropan-2-yl)-2-methylprop-2-enamide (PubChem CID 19751194) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is N-(1,1-dihydroxypropan-2-yl)-2-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1,1-dihydroxypropan-2-yl)-2-methylprop-2-enamide
PubChem CID19751194
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC NameN-(1,1-dihydroxypropan-2-yl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NC(C)C(O)O
InChIInChI=1S/C7H13NO3/c1-4(2)6(9)8-5(3)7(10)11/h5,7,10-11H,1H2,2-3H3,(H,8,9)
InChIKeyOYVZBFJZEIECJT-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

N-(2-hydroxypropyl)methacrylamide
CID 38622
N-(2-Hydroxyethyl)methacrylamide
CID 10197699
N-(3-Hydroxypropyl)-2-methylprop-2-enamide
CID 9793811
N-(1-Hydroxybutan-2-yl)-2-methylprop-2-enamide
CID 12051523
Methacrylic acid dihydroxyethylamide
CID 18348297
N-(1,3-dihydroxypropan-2-yl) methacrylamide
CID 20603690
N-Methacryloylalanine
CID 22826844
2-(2-Methylprop-2-enoylamino)propanoic acid
CID 324197
N-[(2R)-1-hydroxybutan-2-yl]-2-methylprop-2-enamide
CID 15442908
N-(1,4-dihydroxybutan-2-yl)-2-methylprop-2-enamide
CID 19798956
N-(1-hydroxypentan-2-yl)-2-methylprop-2-enamide
CID 20469412
N-(3-hydroxybutan-2-yl)-2-methylprop-2-enamide
CID 21350170

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dihydroxypropan-2-yl)-2-methylprop-2-enamide?
The IUPAC name of N-(1,1-dihydroxypropan-2-yl)-2-methylprop-2-enamide (CID 19751194) is N-(1,1-dihydroxypropan-2-yl)-2-methylprop-2-enamide.
What is the SMILES notation for N-(1,1-dihydroxypropan-2-yl)-2-methylprop-2-enamide?
The canonical SMILES for N-(1,1-dihydroxypropan-2-yl)-2-methylprop-2-enamide is C=C(C)C(=O)NC(C)C(O)O.
What is the InChIKey of N-(1,1-dihydroxypropan-2-yl)-2-methylprop-2-enamide?
The InChIKey is OYVZBFJZEIECJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4(2)6(9)8-5(3)7(10)11/h5,7,10-11H,1H2,2-3H3,(H,8,9).
What are the key properties of N-(1,1-dihydroxypropan-2-yl)-2-methylprop-2-enamide?
N-(1,1-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-(1,1-dihydroxypropan-2-yl)-2-methylprop-2-enamide is sourced from PubChem (CID 19751194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).