2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide

C10H16N2O2 — CID 115776126

IUPAC2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(CCO)C(=O)C(C)(C)C#N
InChIInChI=1S/C10H16N2O2/c1-4-5-12(6-7-13)9(14)10(2,3)8-11/h4,13H,1,5-7H2,2-3H3
InChIKeyKMXDROPCEVAXEI-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.54
Rot. Bonds5

About 2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide

2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide (PubChem CID 115776126) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide
PubChem CID115776126
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide
SMILESC=CCN(CCO)C(=O)C(C)(C)C#N
InChIInChI=1S/C10H16N2O2/c1-4-5-12(6-7-13)9(14)10(2,3)8-11/h4,13H,1,5-7H2,2-3H3
InChIKeyKMXDROPCEVAXEI-UHFFFAOYSA-N
XLogP0.54
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
N-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide
CID 107989651
1-cyano-N-(2-hydroxyethyl)-N-prop-2-enylcyclobutane-1-carboxamide
CID 115776345
(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 104869516
N-[3-[2-hydroxyethyl(prop-2-enyl)amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 115775603
N-(2-hydroxyethyl)-N-prop-2-enylpent-4-enamide
CID 115775480
2-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775668
2-cyano-N-(5-hydroxypentyl)-N,2-dimethylpropanamide
CID 107199534
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
N-(2-aminoethyl)-2,2,2-trifluoro-N-prop-2-enylacetamide
CID 15814421
methyl 2-[(2-cyano-2-methylpropanoyl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 55151953
5-[2-hydroxyethyl(prop-2-enyl)amino]-2,2-dimethylpentanenitrile
CID 111565160

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide?
The IUPAC name of 2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide (CID 115776126) is 2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide?
The canonical SMILES for 2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide is C=CCN(CCO)C(=O)C(C)(C)C#N.
What is the InChIKey of 2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide?
The InChIKey is KMXDROPCEVAXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-5-12(6-7-13)9(14)10(2,3)8-11/h4,13H,1,5-7H2,2-3H3.
What are the key properties of 2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide?
2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide has a molecular weight of 196.25 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide is sourced from PubChem (CID 115776126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).