N-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide

C11H19NO2 — CID 134607238

IUPACN-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C(=O)C=C)C(CO)C(C)C
InChIInChI=1S/C11H19NO2/c1-5-7-12(11(14)6-2)10(8-13)9(3)4/h5-6,9-10,13H,1-2,7-8H2,3-4H3
InChIKeyPMFRNZVTAIJFQV-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.20
Rot. Bonds6

About N-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide

N-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide (PubChem CID 134607238) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide
PubChem CID134607238
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide
SMILESC=CCN(C(=O)C=C)C(CO)C(C)C
InChIInChI=1S/C11H19NO2/c1-5-7-12(11(14)6-2)10(8-13)9(3)4/h5-6,9-10,13H,1-2,7-8H2,3-4H3
InChIKeyPMFRNZVTAIJFQV-UHFFFAOYSA-N
XLogP1.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.20
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

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-N-prop-2-enylacetamide
CID 135072444
N-[(2S)-1-hydroxybutan-2-yl]-N-prop-2-enylacetamide
CID 135084116
N-(1-hydroxybutan-2-yl)-N-(hydroxymethyl)prop-2-enamide
CID 20255449
N-(2-hydroxyethyl)-N-propan-2-ylprop-2-enamide
CID 43573264
1-(1-Hydroxy-3-methylbutan-2-yl)pyrrole-2,5-dione
CID 79244134
N,N-bis(1-hydroxypropan-2-yl)prop-2-enamide
CID 87783665
N-(1-hydroxypropan-2-yl)-N-methylprop-2-enamide
CID 104551583
N-tert-butyl-N-(2-hydroxyethyl)prop-2-enamide
CID 117606960
1-(1-Hydroxy-3,3-dimethylbutan-2-yl)pyrrole-2,5-dione
CID 121483304
N-(2-hydroxyethyl)-N-(2-methylbutan-2-yl)prop-2-enamide
CID 130380794
N-butan-2-yl-N-(2-hydroxypropyl)prop-2-enamide
CID 149814099
N-ethyl-N-(1-hydroxypropan-2-yl)prop-2-enamide
CID 154627662

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide (CID 134607238) is N-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide is C=CCN(C(=O)C=C)C(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide?
The InChIKey is PMFRNZVTAIJFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-5-7-12(11(14)6-2)10(8-13)9(3)4/h5-6,9-10,13H,1-2,7-8H2,3-4H3.
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide?
N-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide has a molecular weight of 197.28 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 134607238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).