6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide

C10H19NO2 — CID 141458421

IUPAC6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide
SMILESCC(=CCCCO)C(=O)NC(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)11-10(13)9(3)6-4-5-7-12/h6,8,12H,4-5,7H2,1-3H3,(H,11,13)
InChIKeyODEJSBRBERTXSG-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.23
Rot. Bonds5

About 6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide

6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide (PubChem CID 141458421) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide.

Molecular Properties

Compound Name6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide
PubChem CID141458421
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide
SMILESCC(=CCCCO)C(=O)NC(C)C
InChIInChI=1S/C10H19NO2/c1-8(2)11-10(13)9(3)6-4-5-7-12/h6,8,12H,4-5,7H2,1-3H3,(H,11,13)
InChIKeyODEJSBRBERTXSG-UHFFFAOYSA-N
XLogP1.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide?
The IUPAC name of 6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide (CID 141458421) is 6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide.
What is the SMILES notation for 6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide?
The canonical SMILES for 6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide is CC(=CCCCO)C(=O)NC(C)C.
What is the InChIKey of 6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide?
The InChIKey is ODEJSBRBERTXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(2)11-10(13)9(3)6-4-5-7-12/h6,8,12H,4-5,7H2,1-3H3,(H,11,13).
What are the key properties of 6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide?
6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-N-propan-2-ylhex-2-enamide is sourced from PubChem (CID 141458421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).