3-methyl-N-(2-methylbut-2-enyl)pentanamide

C11H21NO — CID 123703645

IUPAC3-methyl-N-(2-methylbut-2-enyl)pentanamide
SMILESCC=C(C)CNC(=O)CC(C)CC
InChIInChI=1S/C11H21NO/c1-5-9(3)7-11(13)12-8-10(4)6-2/h6,9H,5,7-8H2,1-4H3,(H,12,13)
InChIKeyQUOLIDIKVGRLFV-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.51
Rot. Bonds5

About 3-methyl-N-(2-methylbut-2-enyl)pentanamide

3-methyl-N-(2-methylbut-2-enyl)pentanamide (PubChem CID 123703645) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-methyl-N-(2-methylbut-2-enyl)pentanamide.

Molecular Properties

Compound Name3-methyl-N-(2-methylbut-2-enyl)pentanamide
PubChem CID123703645
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-methyl-N-(2-methylbut-2-enyl)pentanamide
SMILESCC=C(C)CNC(=O)CC(C)CC
InChIInChI=1S/C11H21NO/c1-5-9(3)7-11(13)12-8-10(4)6-2/h6,9H,5,7-8H2,1-4H3,(H,12,13)
InChIKeyQUOLIDIKVGRLFV-UHFFFAOYSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-methyl-N-(2-methylbut-2-enyl)pentanamide?
The IUPAC name of 3-methyl-N-(2-methylbut-2-enyl)pentanamide (CID 123703645) is 3-methyl-N-(2-methylbut-2-enyl)pentanamide.
What is the SMILES notation for 3-methyl-N-(2-methylbut-2-enyl)pentanamide?
The canonical SMILES for 3-methyl-N-(2-methylbut-2-enyl)pentanamide is CC=C(C)CNC(=O)CC(C)CC.
What is the InChIKey of 3-methyl-N-(2-methylbut-2-enyl)pentanamide?
The InChIKey is QUOLIDIKVGRLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-9(3)7-11(13)12-8-10(4)6-2/h6,9H,5,7-8H2,1-4H3,(H,12,13).
What are the key properties of 3-methyl-N-(2-methylbut-2-enyl)pentanamide?
3-methyl-N-(2-methylbut-2-enyl)pentanamide has a molecular weight of 183.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-methylbut-2-enyl)pentanamide is sourced from PubChem (CID 123703645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).