N-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide

C7H13NO2 — CID 104551583

IUPACN-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C(C)CO
InChIInChI=1S/C7H13NO2/c1-4-7(10)8(3)6(2)5-9/h4,6,9H,1,5H2,2-3H3
InChIKeyHMURKDLOFNQUCW-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.01
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide

N-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide (PubChem CID 104551583) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide
PubChem CID104551583
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC NameN-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide
SMILESC=CC(=O)N(C)C(C)CO
InChIInChI=1S/C7H13NO2/c1-4-7(10)8(3)6(2)5-9/h4,6,9H,1,5H2,2-3H3
InChIKeyHMURKDLOFNQUCW-UHFFFAOYSA-N
XLogP0.01
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-methylprop-2-enamide
CID 10129965
2-Propenamide, N,N-bis(2-hydroxyethyl)-
CID 11116327
N-2-hydroxyethyl-N-methylcrotonamide
CID 60747686
N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
N-allyl-N-(2-hydroxyethyl)acrylamide
CID 87249562
acryl N-hydroxyethyl acrylamide
CID 87520585
N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide
CID 135084116
N-(1,3-dihydroxypropan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 9989734
N-ethyl-N-(hydroxymethyl)prop-2-enamide
CID 18366429
N-(2-hydroxyethyl)-N-(hydroxymethyl)prop-2-enamide
CID 18792569
N-(hydroxymethyl)-N-propylprop-2-enamide
CID 19006732
N-butan-2-yl-N-(hydroxymethyl)prop-2-enamide
CID 19006733

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide (CID 104551583) is N-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide is C=CC(=O)N(C)C(C)CO.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide?
The InChIKey is HMURKDLOFNQUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-7(10)8(3)6(2)5-9/h4,6,9H,1,5H2,2-3H3.
What are the key properties of N-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide?
N-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide has a molecular weight of 143.19 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 104551583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).