N-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide

C9H13NO2 — CID 107989651

IUPACN-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide
SMILESC=CCN(CCO)C(=O)C#CC
InChIInChI=1S/C9H13NO2/c1-3-5-9(12)10(6-4-2)7-8-11/h4,11H,2,6-8H2,1H3
InChIKeyCFFJWUNAQAUMMK-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.02
Rot. Bonds4

About N-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide

N-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide (PubChem CID 107989651) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide
PubChem CID107989651
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide
SMILESC=CCN(CCO)C(=O)C#CC
InChIInChI=1S/C9H13NO2/c1-3-5-9(12)10(6-4-2)7-8-11/h4,11H,2,6-8H2,1H3
InChIKeyCFFJWUNAQAUMMK-UHFFFAOYSA-N
XLogP0.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 84572947
ethyl 2-[but-2-ynoyl(prop-2-enyl)amino]acetate
CID 107262087
2-cyano-N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylpropanamide
CID 115776126
(2S)-2-amino-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 104869516
N-(2-hydroxyethyl)-3,5-dimethyl-N-prop-2-enylbenzamide
CID 113340642
N-(2-hydroxyethyl)-N-prop-2-enylpent-4-enamide
CID 115775480
N-but-3-enyl-N-methylbut-2-ynamide
CID 131208722
1-(2-hydroxyethyl)-3-propan-2-yl-1-prop-2-enylurea
CID 115633504
2-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylacetamide
CID 115775668
N,N-bis(2-hydroxyethyl)prop-2-enamide;ethane
CID 176950380
3-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylpropanamide
CID 115775879
4-ethoxy-N-(2-hydroxyethyl)-N-prop-2-enylbutanamide
CID 115775753

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide?
The IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide (CID 107989651) is N-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide is C=CCN(CCO)C(=O)C#CC.
What is the InChIKey of N-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide?
The InChIKey is CFFJWUNAQAUMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-5-9(12)10(6-4-2)7-8-11/h4,11H,2,6-8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide?
N-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide has a molecular weight of 167.21 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-prop-2-enylbut-2-ynamide is sourced from PubChem (CID 107989651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).