N-(1-hydroxyprop-2-enyl)-2-methyl-N-prop-2-enylprop-2-enamide

C10H15NO2 — CID 87783930

IUPACN-(1-hydroxyprop-2-enyl)-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C(=O)C(=C)C)C(O)C=C
InChIInChI=1S/C10H15NO2/c1-5-7-11(9(12)6-2)10(13)8(3)4/h5-6,9,12H,1-3,7H2,4H3
InChIKeyZOUUZMNARWGWDB-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.08
Rot. Bonds5

About N-(1-hydroxyprop-2-enyl)-2-methyl-N-prop-2-enylprop-2-enamide

N-(1-hydroxyprop-2-enyl)-2-methyl-N-prop-2-enylprop-2-enamide (PubChem CID 87783930) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is N-(1-hydroxyprop-2-enyl)-2-methyl-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxyprop-2-enyl)-2-methyl-N-prop-2-enylprop-2-enamide
PubChem CID87783930
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC NameN-(1-hydroxyprop-2-enyl)-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C(=O)C(=C)C)C(O)C=C
InChIInChI=1S/C10H15NO2/c1-5-7-11(9(12)6-2)10(13)8(3)4/h5-6,9,12H,1-3,7H2,4H3
InChIKeyZOUUZMNARWGWDB-UHFFFAOYSA-N
XLogP1.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxyprop-2-enyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-(1-hydroxyprop-2-enyl)-2-methyl-N-prop-2-enylprop-2-enamide (CID 87783930) is N-(1-hydroxyprop-2-enyl)-2-methyl-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-(1-hydroxyprop-2-enyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-(1-hydroxyprop-2-enyl)-2-methyl-N-prop-2-enylprop-2-enamide is C=CCN(C(=O)C(=C)C)C(O)C=C.
What is the InChIKey of N-(1-hydroxyprop-2-enyl)-2-methyl-N-prop-2-enylprop-2-enamide?
The InChIKey is ZOUUZMNARWGWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-5-7-11(9(12)6-2)10(13)8(3)4/h5-6,9,12H,1-3,7H2,4H3.
What are the key properties of N-(1-hydroxyprop-2-enyl)-2-methyl-N-prop-2-enylprop-2-enamide?
N-(1-hydroxyprop-2-enyl)-2-methyl-N-prop-2-enylprop-2-enamide has a molecular weight of 181.23 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxyprop-2-enyl)-2-methyl-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 87783930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).