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

C8H13NO2 — CID 87249562

IUPACN-(2-hydroxyethyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCO)C(=O)C=C
InChIInChI=1S/C8H13NO2/c1-3-5-9(6-7-10)8(11)4-2/h3-4,10H,1-2,5-7H2
InChIKeyMKGRIWHADOQJOI-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.18
Rot. Bonds5

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

N-(2-hydroxyethyl)-N-prop-2-enylprop-2-enamide (PubChem CID 87249562) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-prop-2-enylprop-2-enamide
PubChem CID87249562
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC NameN-(2-hydroxyethyl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(CCO)C(=O)C=C
InChIInChI=1S/C8H13NO2/c1-3-5-9(6-7-10)8(11)4-2/h3-4,10H,1-2,5-7H2
InChIKeyMKGRIWHADOQJOI-UHFFFAOYSA-N
XLogP0.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.18
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

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(2E,4E)-N,N-bis(2-hydroxyethyl)hexa-2,4-dienamide
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2-Propenamide, N,N-bis(2-hydroxyethyl)-2-methyl-
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(R)-2-hydroxyethyl-prop-2-enoyl-prop-2-enyl-(2,2,2-trifluoroethyl)azanium
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CID 60949628
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CID 103513998

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-(2-hydroxyethyl)-N-prop-2-enylprop-2-enamide (CID 87249562) is N-(2-hydroxyethyl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-prop-2-enylprop-2-enamide is C=CCN(CCO)C(=O)C=C.
What is the InChIKey of N-(2-hydroxyethyl)-N-prop-2-enylprop-2-enamide?
The InChIKey is MKGRIWHADOQJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-3-5-9(6-7-10)8(11)4-2/h3-4,10H,1-2,5-7H2.
What are the key properties of N-(2-hydroxyethyl)-N-prop-2-enylprop-2-enamide?
N-(2-hydroxyethyl)-N-prop-2-enylprop-2-enamide has a molecular weight of 155.20 g/mol, XLogP of 0.18, 5 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-enylprop-2-enamide is sourced from PubChem (CID 87249562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).