(2R)-2-hydroxy-N-(2-methylpropyl)pent-4-enamide

C9H17NO2 — CID 11240740

IUPAC(2R)-2-hydroxy-N-(2-methylpropyl)pent-4-enamide
SMILESC=CC[C@@H](O)C(=O)NCC(C)C
InChIInChI=1S/C9H17NO2/c1-4-5-8(11)9(12)10-6-7(2)3/h4,7-8,11H,1,5-6H2,2-3H3,(H,10,12)/t8-/m1/s1
InChIKeyBRKJLYOKUFGSDT-MRVPVSSYSA-N
MW171.24 g/mol
LogP0.70
Rot. Bonds5

About (2R)-2-hydroxy-N-(2-methylpropyl)pent-4-enamide

(2R)-2-hydroxy-N-(2-methylpropyl)pent-4-enamide (PubChem CID 11240740) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2R)-2-hydroxy-N-(2-methylpropyl)pent-4-enamide.

Molecular Properties

Compound Name(2R)-2-hydroxy-N-(2-methylpropyl)pent-4-enamide
PubChem CID11240740
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2R)-2-hydroxy-N-(2-methylpropyl)pent-4-enamide
SMILESC=CC[C@@H](O)C(=O)NCC(C)C
InChIInChI=1S/C9H17NO2/c1-4-5-8(11)9(12)10-6-7(2)3/h4,7-8,11H,1,5-6H2,2-3H3,(H,10,12)/t8-/m1/s1
InChIKeyBRKJLYOKUFGSDT-MRVPVSSYSA-N
XLogP0.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R)-2-hydroxy-N-(2-methylpropyl)pent-4-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 (2R)-2-hydroxy-N-(2-methylpropyl)pent-4-enamide?
The IUPAC name of (2R)-2-hydroxy-N-(2-methylpropyl)pent-4-enamide (CID 11240740) is (2R)-2-hydroxy-N-(2-methylpropyl)pent-4-enamide.
What is the SMILES notation for (2R)-2-hydroxy-N-(2-methylpropyl)pent-4-enamide?
The canonical SMILES for (2R)-2-hydroxy-N-(2-methylpropyl)pent-4-enamide is C=CC[C@@H](O)C(=O)NCC(C)C.
What is the InChIKey of (2R)-2-hydroxy-N-(2-methylpropyl)pent-4-enamide?
The InChIKey is BRKJLYOKUFGSDT-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-5-8(11)9(12)10-6-7(2)3/h4,7-8,11H,1,5-6H2,2-3H3,(H,10,12)/t8-/m1/s1.
What are the key properties of (2R)-2-hydroxy-N-(2-methylpropyl)pent-4-enamide?
(2R)-2-hydroxy-N-(2-methylpropyl)pent-4-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-N-(2-methylpropyl)pent-4-enamide is sourced from PubChem (CID 11240740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).