N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide

C7H13NO3 — CID 19357497

IUPACN-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(CO)CO
InChIInChI=1S/C7H13NO3/c1-3-6(11)8-7(2,4-9)5-10/h3,9-10H,1,4-5H2,2H3,(H,8,11)
InChIKeyYZMLNCLAHHYCMY-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.97
Rot. Bonds4

About N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide

N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide (PubChem CID 19357497) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
PubChem CID19357497
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC NameN-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(CO)CO
InChIInChI=1S/C7H13NO3/c1-3-6(11)8-7(2,4-9)5-10/h3,9-10H,1,4-5H2,2H3,(H,8,11)
InChIKeyYZMLNCLAHHYCMY-UHFFFAOYSA-N
XLogP-0.97
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl](113C)prop-2-enamide
CID 10397303
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
N-tert-butylprop-2-enamide;sulfane
CID 158648389
N-(2-hydroxybutan-2-yl)prop-2-enamide
CID 118588252
N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride
CID 173206543
N-(2-methyl-3-oxopentan-2-yl)prop-2-enamide
CID 21274347
N-(1,3-dihydroxy-2-methylpropan-2-yl)carbamoyl iodide
CID 89195106
lithium 3-methyl-3-(prop-2-enoylamino)butanoate
CID 175226947
[2-methyl-2-(prop-2-enoylamino)propyl]boronic acid
CID 150077242
2-methyl-2-(prop-2-enoylamino)propanoate
CID 19018280
N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide
CID 130949338
N-(4-methoxy-2,4-dimethylpentan-2-yl)prop-2-enamide
CID 166835322

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide?
The IUPAC name of N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide (CID 19357497) is N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide?
The canonical SMILES for N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide is C=CC(=O)NC(C)(CO)CO.
What is the InChIKey of N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide?
The InChIKey is YZMLNCLAHHYCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-6(11)8-7(2,4-9)5-10/h3,9-10H,1,4-5H2,2H3,(H,8,11).
What are the key properties of N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide?
N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide has a molecular weight of 159.19 g/mol, XLogP of -0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxy-2-methylpropan-2-yl)prop-2-enamide is sourced from PubChem (CID 19357497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).