N-[(E)-4-hydroxybut-2-enyl]-2-methyl-N-prop-2-enylprop-2-enamide

C11H17NO2 — CID 135140585

IUPACN-[(E)-4-hydroxybut-2-enyl]-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C/C=C/CO)C(=O)C(=C)C
InChIInChI=1S/C11H17NO2/c1-4-7-12(8-5-6-9-13)11(14)10(2)3/h4-6,13H,1-2,7-9H2,3H3/b6-5+
InChIKeyVOWQYGZYGAPWMP-AATRIKPKSA-N
MW195.26 g/mol
LogP1.13
Rot. Bonds6

About N-[(E)-4-hydroxybut-2-enyl]-2-methyl-N-prop-2-enylprop-2-enamide

N-[(E)-4-hydroxybut-2-enyl]-2-methyl-N-prop-2-enylprop-2-enamide (PubChem CID 135140585) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-[(E)-4-hydroxybut-2-enyl]-2-methyl-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-[(E)-4-hydroxybut-2-enyl]-2-methyl-N-prop-2-enylprop-2-enamide
PubChem CID135140585
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-[(E)-4-hydroxybut-2-enyl]-2-methyl-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C/C=C/CO)C(=O)C(=C)C
InChIInChI=1S/C11H17NO2/c1-4-7-12(8-5-6-9-13)11(14)10(2)3/h4-6,13H,1-2,7-9H2,3H3/b6-5+
InChIKeyVOWQYGZYGAPWMP-AATRIKPKSA-N
XLogP1.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.13
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

1-tert-butyl-2-hydroxy-2H-pyrrol-5-one
CID 12229405
2-hydroxy-4-methyl-1-prop-2-enyl-2H-pyrrol-5-one
CID 10942654
2-hydroxy-4-methyl-5-oxo-2H-pyrrole-1-carbaldehyde
CID 13250058
N-(1-hydroxyethyl)-N-(3-hydroxypropyl)-2-methylprop-2-enamide
CID 18413449
N-(2-hydroxyethyl)-2-methyl-N-propylprop-2-enamide
CID 22414110
N,N-bis(1-hydroxyethyl)-2-methylprop-2-enamide
CID 23297267
2-Hydroxyethyl-dimethyl-(2-methylprop-2-enoyl)azanium
CID 54117395
4-[Bis(prop-2-enyl)amino]-3-methyl-4-oxobut-2-enoic acid
CID 59062021
1-ethyl-2-hydroxy-2H-pyrrol-5-one
CID 68342716
N-(3-hydroxypropyl)-2-methyl-N-prop-2-enylprop-2-enamide
CID 87069849
N-(2-hydroxyethyl)-2-methyl-N-prop-2-enylprop-2-enamide
CID 87074062
N-ethyl-N-(3-hydroxypropyl)-2-methylprop-2-enamide
CID 87219533

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-hydroxybut-2-enyl]-2-methyl-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-[(E)-4-hydroxybut-2-enyl]-2-methyl-N-prop-2-enylprop-2-enamide (CID 135140585) is N-[(E)-4-hydroxybut-2-enyl]-2-methyl-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-[(E)-4-hydroxybut-2-enyl]-2-methyl-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-[(E)-4-hydroxybut-2-enyl]-2-methyl-N-prop-2-enylprop-2-enamide is C=CCN(C/C=C/CO)C(=O)C(=C)C.
What is the InChIKey of N-[(E)-4-hydroxybut-2-enyl]-2-methyl-N-prop-2-enylprop-2-enamide?
The InChIKey is VOWQYGZYGAPWMP-AATRIKPKSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-7-12(8-5-6-9-13)11(14)10(2)3/h4-6,13H,1-2,7-9H2,3H3/b6-5+.
What are the key properties of N-[(E)-4-hydroxybut-2-enyl]-2-methyl-N-prop-2-enylprop-2-enamide?
N-[(E)-4-hydroxybut-2-enyl]-2-methyl-N-prop-2-enylprop-2-enamide has a molecular weight of 195.26 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-hydroxybut-2-enyl]-2-methyl-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 135140585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).