N-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide

C10H19NO2 — CID 79252550

IUPACN-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide
SMILESC=CCCC(=O)NC(CO)C(C)C
InChIInChI=1S/C10H19NO2/c1-4-5-6-10(13)11-9(7-12)8(2)3/h4,8-9,12H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyVBTNHMHYHYXNCF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.09
Rot. Bonds6

About N-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide

N-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide (PubChem CID 79252550) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide
PubChem CID79252550
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide
SMILESC=CCCC(=O)NC(CO)C(C)C
InChIInChI=1S/C10H19NO2/c1-4-5-6-10(13)11-9(7-12)8(2)3/h4,8-9,12H,1,5-7H2,2-3H3,(H,11,13)
InChIKeyVBTNHMHYHYXNCF-UHFFFAOYSA-N
XLogP1.09
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide?
The IUPAC name of N-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide (CID 79252550) is N-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide.
What is the SMILES notation for N-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide?
The canonical SMILES for N-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide is C=CCCC(=O)NC(CO)C(C)C.
What is the InChIKey of N-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide?
The InChIKey is VBTNHMHYHYXNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-5-6-10(13)11-9(7-12)8(2)3/h4,8-9,12H,1,5-7H2,2-3H3,(H,11,13).
What are the key properties of N-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide?
N-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide has a molecular weight of 185.27 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methylbutan-2-yl)pent-4-enamide is sourced from PubChem (CID 79252550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).