(E)-5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methylpent-2-enamide

C9H17NO3 — CID 87783664

IUPAC(E)-5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methylpent-2-enamide
SMILESCC(/C=C(/C(N)=O)C(C)CO)CO
InChIInChI=1S/C9H17NO3/c1-6(4-11)3-8(9(10)13)7(2)5-12/h3,6-7,11-12H,4-5H2,1-2H3,(H2,10,13)/b8-3+
InChIKeyHVWHIWGKQPLNGC-FPYGCLRLSA-N
MW187.24 g/mol
LogP-0.35
Rot. Bonds5

About (E)-5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methylpent-2-enamide

(E)-5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methylpent-2-enamide (PubChem CID 87783664) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (E)-5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methylpent-2-enamide.

Molecular Properties

Compound Name(E)-5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methylpent-2-enamide
PubChem CID87783664
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(E)-5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methylpent-2-enamide
SMILESCC(/C=C(/C(N)=O)C(C)CO)CO
InChIInChI=1S/C9H17NO3/c1-6(4-11)3-8(9(10)13)7(2)5-12/h3,6-7,11-12H,4-5H2,1-2H3,(H2,10,13)/b8-3+
InChIKeyHVWHIWGKQPLNGC-FPYGCLRLSA-N
XLogP-0.35
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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)-5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methylpent-2-enamide?
The IUPAC name of (E)-5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methylpent-2-enamide (CID 87783664) is (E)-5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methylpent-2-enamide.
What is the SMILES notation for (E)-5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methylpent-2-enamide?
The canonical SMILES for (E)-5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methylpent-2-enamide is CC(/C=C(/C(N)=O)C(C)CO)CO.
What is the InChIKey of (E)-5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methylpent-2-enamide?
The InChIKey is HVWHIWGKQPLNGC-FPYGCLRLSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(4-11)3-8(9(10)13)7(2)5-12/h3,6-7,11-12H,4-5H2,1-2H3,(H2,10,13)/b8-3+.
What are the key properties of (E)-5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methylpent-2-enamide?
(E)-5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methylpent-2-enamide has a molecular weight of 187.24 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-2-(1-hydroxypropan-2-yl)-4-methylpent-2-enamide is sourced from PubChem (CID 87783664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).