(E)-N-[(2R)-1-hydroxybutan-2-yl]-N-propan-2-ylbut-2-enamide

C11H21NO2 — CID 11041758

IUPAC(E)-N-[(2R)-1-hydroxybutan-2-yl]-N-propan-2-ylbut-2-enamide
SMILESC/C=C/C(=O)N(C(C)C)[C@H](CC)CO
InChIInChI=1S/C11H21NO2/c1-5-7-11(14)12(9(3)4)10(6-2)8-13/h5,7,9-10,13H,6,8H2,1-4H3/b7-5+/t10-/m1/s1
InChIKeyPRHWOOYHRNUSNC-BREXMAIKSA-N
MW199.29 g/mol
LogP1.57
Rot. Bonds5

About (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-propan-2-ylbut-2-enamide

(E)-N-[(2R)-1-hydroxybutan-2-yl]-N-propan-2-ylbut-2-enamide (PubChem CID 11041758) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-propan-2-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-1-hydroxybutan-2-yl]-N-propan-2-ylbut-2-enamide
PubChem CID11041758
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name(E)-N-[(2R)-1-hydroxybutan-2-yl]-N-propan-2-ylbut-2-enamide
SMILESC/C=C/C(=O)N(C(C)C)[C@H](CC)CO
InChIInChI=1S/C11H21NO2/c1-5-7-11(14)12(9(3)4)10(6-2)8-13/h5,7,9-10,13H,6,8H2,1-4H3/b7-5+/t10-/m1/s1
InChIKeyPRHWOOYHRNUSNC-BREXMAIKSA-N
XLogP1.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-propan-2-ylbut-2-enamide?
The IUPAC name of (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-propan-2-ylbut-2-enamide (CID 11041758) is (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-propan-2-ylbut-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-propan-2-ylbut-2-enamide?
The canonical SMILES for (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-propan-2-ylbut-2-enamide is C/C=C/C(=O)N(C(C)C)[C@H](CC)CO.
What is the InChIKey of (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-propan-2-ylbut-2-enamide?
The InChIKey is PRHWOOYHRNUSNC-BREXMAIKSA-N. The full InChI is InChI=1S/C11H21NO2/c1-5-7-11(14)12(9(3)4)10(6-2)8-13/h5,7,9-10,13H,6,8H2,1-4H3/b7-5+/t10-/m1/s1.
What are the key properties of (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-propan-2-ylbut-2-enamide?
(E)-N-[(2R)-1-hydroxybutan-2-yl]-N-propan-2-ylbut-2-enamide has a molecular weight of 199.29 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-propan-2-ylbut-2-enamide is sourced from PubChem (CID 11041758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).