2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide

C10H17NO — CID 57249346

IUPAC2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide
SMILESCC=C(C)C=CNC(=O)C(C)C
InChIInChI=1S/C10H17NO/c1-5-9(4)6-7-11-10(12)8(2)3/h5-8H,1-4H3,(H,11,12)
InChIKeyHSXUXFCOUPUHNB-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.24
Rot. Bonds3

About 2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide

2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide (PubChem CID 57249346) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide
PubChem CID57249346
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide
SMILESCC=C(C)C=CNC(=O)C(C)C
InChIInChI=1S/C10H17NO/c1-5-9(4)6-7-11-10(12)8(2)3/h5-8H,1-4H3,(H,11,12)
InChIKeyHSXUXFCOUPUHNB-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide?
The IUPAC name of 2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide (CID 57249346) is 2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide.
What is the SMILES notation for 2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide?
The canonical SMILES for 2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide is CC=C(C)C=CNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide?
The InChIKey is HSXUXFCOUPUHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-9(4)6-7-11-10(12)8(2)3/h5-8H,1-4H3,(H,11,12).
What are the key properties of 2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide?
2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide has a molecular weight of 167.25 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(3-methylpenta-1,3-dienyl)propanamide is sourced from PubChem (CID 57249346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).