3-hydroxy-N,N,2,4-tetramethylpent-4-enamide

C9H17NO2 — CID 143478741

IUPAC3-hydroxy-N,N,2,4-tetramethylpent-4-enamide
SMILESC=C(C)C(O)C(C)C(=O)N(C)C
InChIInChI=1S/C9H17NO2/c1-6(2)8(11)7(3)9(12)10(4)5/h7-8,11H,1H2,2-5H3
InChIKeyIFIXBJCCFOICJU-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.65
Rot. Bonds3

About 3-hydroxy-N,N,2,4-tetramethylpent-4-enamide

3-hydroxy-N,N,2,4-tetramethylpent-4-enamide (PubChem CID 143478741) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-hydroxy-N,N,2,4-tetramethylpent-4-enamide.

Molecular Properties

Compound Name3-hydroxy-N,N,2,4-tetramethylpent-4-enamide
PubChem CID143478741
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-hydroxy-N,N,2,4-tetramethylpent-4-enamide
SMILESC=C(C)C(O)C(C)C(=O)N(C)C
InChIInChI=1S/C9H17NO2/c1-6(2)8(11)7(3)9(12)10(4)5/h7-8,11H,1H2,2-5H3
InChIKeyIFIXBJCCFOICJU-UHFFFAOYSA-N
XLogP0.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
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 3-hydroxy-N,N,2,4-tetramethylpent-4-enamide?
The IUPAC name of 3-hydroxy-N,N,2,4-tetramethylpent-4-enamide (CID 143478741) is 3-hydroxy-N,N,2,4-tetramethylpent-4-enamide.
What is the SMILES notation for 3-hydroxy-N,N,2,4-tetramethylpent-4-enamide?
The canonical SMILES for 3-hydroxy-N,N,2,4-tetramethylpent-4-enamide is C=C(C)C(O)C(C)C(=O)N(C)C.
What is the InChIKey of 3-hydroxy-N,N,2,4-tetramethylpent-4-enamide?
The InChIKey is IFIXBJCCFOICJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-6(2)8(11)7(3)9(12)10(4)5/h7-8,11H,1H2,2-5H3.
What are the key properties of 3-hydroxy-N,N,2,4-tetramethylpent-4-enamide?
3-hydroxy-N,N,2,4-tetramethylpent-4-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,N,2,4-tetramethylpent-4-enamide is sourced from PubChem (CID 143478741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).