5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide

C9H17NO2 — CID 141458429

IUPAC5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide
SMILESCC(=CCCO)C(=O)NC(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)10-9(12)8(3)5-4-6-11/h5,7,11H,4,6H2,1-3H3,(H,10,12)
InChIKeyVOCKMBIWVLFQIX-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.84
Rot. Bonds4

About 5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide

5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide (PubChem CID 141458429) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide.

Molecular Properties

Compound Name5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide
PubChem CID141458429
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide
SMILESCC(=CCCO)C(=O)NC(C)C
InChIInChI=1S/C9H17NO2/c1-7(2)10-9(12)8(3)5-4-6-11/h5,7,11H,4,6H2,1-3H3,(H,10,12)
InChIKeyVOCKMBIWVLFQIX-UHFFFAOYSA-N
XLogP0.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide?
The IUPAC name of 5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide (CID 141458429) is 5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide.
What is the SMILES notation for 5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide?
The canonical SMILES for 5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide is CC(=CCCO)C(=O)NC(C)C.
What is the InChIKey of 5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide?
The InChIKey is VOCKMBIWVLFQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7(2)10-9(12)8(3)5-4-6-11/h5,7,11H,4,6H2,1-3H3,(H,10,12).
What are the key properties of 5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide?
5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-N-propan-2-ylpent-2-enamide is sourced from PubChem (CID 141458429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).