N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpenta-2,4-dienamide

C10H17NO2 — CID 141293141

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-2-methylpenta-2,4-dienamide
SMILESC=CC=C(C)C(=O)NC(C)(C)CO
InChIInChI=1S/C10H17NO2/c1-5-6-8(2)9(13)11-10(3,4)7-12/h5-6,12H,1,7H2,2-4H3,(H,11,13)
InChIKeyQSNVEBGTUVCMPA-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.01
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpenta-2,4-dienamide

N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpenta-2,4-dienamide (PubChem CID 141293141) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpenta-2,4-dienamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-2-methylpenta-2,4-dienamide
PubChem CID141293141
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-2-methylpenta-2,4-dienamide
SMILESC=CC=C(C)C(=O)NC(C)(C)CO
InChIInChI=1S/C10H17NO2/c1-5-6-8(2)9(13)11-10(3,4)7-12/h5-6,12H,1,7H2,2-4H3,(H,11,13)
InChIKeyQSNVEBGTUVCMPA-UHFFFAOYSA-N
XLogP1.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpenta-2,4-dienamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpenta-2,4-dienamide (CID 141293141) is N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpenta-2,4-dienamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpenta-2,4-dienamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpenta-2,4-dienamide is C=CC=C(C)C(=O)NC(C)(C)CO.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpenta-2,4-dienamide?
The InChIKey is QSNVEBGTUVCMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-5-6-8(2)9(13)11-10(3,4)7-12/h5-6,12H,1,7H2,2-4H3,(H,11,13).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpenta-2,4-dienamide?
N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpenta-2,4-dienamide has a molecular weight of 183.25 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-2-methylpenta-2,4-dienamide is sourced from PubChem (CID 141293141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).