N-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide

C10H15NO3 — CID 87350370

IUPACN-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CCO)C(=O)C(=C)C
InChIInChI=1S/C10H15NO3/c1-7(2)9(13)11(5-6-12)10(14)8(3)4/h12H,1,3,5-6H2,2,4H3
InChIKeySRXBMRYMGWWISM-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.49
Rot. Bonds4

About N-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide

N-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide (PubChem CID 87350370) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
PubChem CID87350370
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC NameN-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide
SMILESC=C(C)C(=O)N(CCO)C(=O)C(=C)C
InChIInChI=1S/C10H15NO3/c1-7(2)9(13)11(5-6-12)10(14)8(3)4/h12H,1,3,5-6H2,2,4H3
InChIKeySRXBMRYMGWWISM-UHFFFAOYSA-N
XLogP0.49
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide (CID 87350370) is N-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide is C=C(C)C(=O)N(CCO)C(=O)C(=C)C.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
The InChIKey is SRXBMRYMGWWISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(2)9(13)11(5-6-12)10(14)8(3)4/h12H,1,3,5-6H2,2,4H3.
What are the key properties of N-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide?
N-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide has a molecular weight of 197.23 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-N-(2-methylprop-2-enoyl)prop-2-enamide is sourced from PubChem (CID 87350370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).