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

C9H17NO2 — CID 10877579

IUPAC(E)-N-[(2R)-1-hydroxybutan-2-yl]-N-methylbut-2-enamide
SMILESC/C=C/C(=O)N(C)[C@H](CC)CO
InChIInChI=1S/C9H17NO2/c1-4-6-9(12)10(3)8(5-2)7-11/h4,6,8,11H,5,7H2,1-3H3/b6-4+/t8-/m1/s1
InChIKeyXGDYNZSRJQFBQJ-YZCDNWJKSA-N
MW171.24 g/mol
LogP0.79
Rot. Bonds4

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

(E)-N-[(2R)-1-hydroxybutan-2-yl]-N-methylbut-2-enamide (PubChem CID 10877579) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2R)-1-hydroxybutan-2-yl]-N-methylbut-2-enamide
PubChem CID10877579
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(E)-N-[(2R)-1-hydroxybutan-2-yl]-N-methylbut-2-enamide
SMILESC/C=C/C(=O)N(C)[C@H](CC)CO
InChIInChI=1S/C9H17NO2/c1-4-6-9(12)10(3)8(5-2)7-11/h4,6,8,11H,5,7H2,1-3H3/b6-4+/t8-/m1/s1
InChIKeyXGDYNZSRJQFBQJ-YZCDNWJKSA-N
XLogP0.79
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-methylbut-2-enamide?
The IUPAC name of (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-methylbut-2-enamide (CID 10877579) is (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-methylbut-2-enamide.
What is the SMILES notation for (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-methylbut-2-enamide?
The canonical SMILES for (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-methylbut-2-enamide is C/C=C/C(=O)N(C)[C@H](CC)CO.
What is the InChIKey of (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-methylbut-2-enamide?
The InChIKey is XGDYNZSRJQFBQJ-YZCDNWJKSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-6-9(12)10(3)8(5-2)7-11/h4,6,8,11H,5,7H2,1-3H3/b6-4+/t8-/m1/s1.
What are the key properties of (E)-N-[(2R)-1-hydroxybutan-2-yl]-N-methylbut-2-enamide?
(E)-N-[(2R)-1-hydroxybutan-2-yl]-N-methylbut-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.79, 4 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-methylbut-2-enamide is sourced from PubChem (CID 10877579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).