hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide

C7H14NO2+ — CID 87755917

IUPAChydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(C)O.[H+]
InChIInChI=1S/C7H13NO2/c1-5(2)7(10)8-4-6(3)9/h6,9H,1,4H2,2-3H3,(H,8,10)/p+1
InChIKeyOKPYIWASQZGASP-UHFFFAOYSA-O
MW144.19 g/mol
LogP0.17
Rot. Bonds3

About hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide

hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide (PubChem CID 87755917) has the molecular formula C7H14NO2+ and a molecular weight of 144.19 g/mol. Its IUPAC name is hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide.

Molecular Properties

Compound Namehydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide
PubChem CID87755917
Molecular FormulaC7H14NO2+
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Namehydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide
SMILESC=C(C)C(=O)NCC(C)O.[H+]
InChIInChI=1S/C7H13NO2/c1-5(2)7(10)8-4-6(3)9/h6,9H,1,4H2,2-3H3,(H,8,10)/p+1
InChIKeyOKPYIWASQZGASP-UHFFFAOYSA-O
XLogP0.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.17
H-Bond Donors ≤ 52
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-hydroxypropyl)-2-methylprop-2-enamide
CID 159380399
2-methyl-N-[2-[(2-methylprop-2-enoylamino)methyl]-3-(propan-2-ylamino)propyl]prop-2-enamide
CID 89088591
1-hydroxy-2-(2-methylprop-2-enoylamino)ethanesulfonic acid
CID 54533259
3-hydroxy-N-(2-hydroxypropyl)-2-methylprop-2-enamide
CID 156779688
trimethyl-[2-methyl-3-(2-methylprop-2-enoylamino)propyl]azanium
CID 87943190
2-methyl-N-[2-methyl-3-[2-[2-methyl-3-(2-methylprop-2-enoylamino)propoxy]ethoxy]propyl]prop-2-enamide
CID 129238388
2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide
CID 174986038
ethane;2-methyl-N-[2-[methyl(2-methylprop-2-enoyl)amino]propyl]prop-2-enamide
CID 174986037
2-methyl-N-[(2R,3S)-3-(2-methylprop-2-enoylamino)butan-2-yl]prop-2-enamide
CID 167017883
[2-methyl-3-(2-methylprop-2-enoylamino)propyl] methanesulfonate
CID 87327562
potassium 2-methyl-3-(2-methylprop-2-enoylamino)propane-1-sulfonate
CID 138705740
N-[(2S)-2-hydroxypropyl]-3-oxobutanamide
CID 107856858

Frequently Asked Questions

What is the IUPAC name of hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The IUPAC name of hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide (CID 87755917) is hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide.
What is the SMILES notation for hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The canonical SMILES for hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide is C=C(C)C(=O)NCC(C)O.[H+].
What is the InChIKey of hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide?
The InChIKey is OKPYIWASQZGASP-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13NO2/c1-5(2)7(10)8-4-6(3)9/h6,9H,1,4H2,2-3H3,(H,8,10)/p+1.
What are the key properties of hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide?
hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide has a molecular weight of 144.19 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;N-(2-hydroxypropyl)-2-methylprop-2-enamide is sourced from PubChem (CID 87755917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).