N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide

C9H15NO2 — CID 87074062

IUPACN-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCO)C(=O)C(=C)C
InChIInChI=1S/C9H15NO2/c1-4-5-10(6-7-11)9(12)8(2)3/h4,11H,1-2,5-7H2,3H3
InChIKeySDUVRBRFKBCWEU-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.57
Rot. Bonds5

About N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide

N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide (PubChem CID 87074062) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide
PubChem CID87074062
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC NameN-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCO)C(=O)C(=C)C
InChIInChI=1S/C9H15NO2/c1-4-5-10(6-7-11)9(12)8(2)3/h4,11H,1-2,5-7H2,3H3
InChIKeySDUVRBRFKBCWEU-UHFFFAOYSA-N
XLogP0.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'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
2-Propenamide, N,N-bis(2-hydroxyethyl)-2-methyl-
CID 3084889
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
2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one
CID 10942654
N-(2-hydroxyethyl)-N,2-dimethylprop-2-enamide
CID 13531438
N-(hydroxymethyl)-2-methyl-N-(2-methylpropyl)prop-2-enamide
CID 17936728
1-(2-Hydroxyethyl)-3-methyl-1H-pyrrole-2,5-dione
CID 17962376
N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide
CID 18413449

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide (CID 87074062) is N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide is C=CCN(CCO)C(=O)C(=C)C.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The InChIKey is SDUVRBRFKBCWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-5-10(6-7-11)9(12)8(2)3/h4,11H,1-2,5-7H2,3H3.
What are the key properties of N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide?
N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide has a molecular weight of 169.22 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 87074062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).