2-methyl-N-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)propanamide

C13H21NO — CID 22239886

IUPAC2-methyl-N-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)propanamide
SMILESCC1=CC(C)(NC(=O)C(C)C)C(C)=C1C
InChIInChI=1S/C13H21NO/c1-8(2)12(15)14-13(6)7-9(3)10(4)11(13)5/h7-8H,1-6H3,(H,14,15)
InChIKeyRVBRWRSXYLEREC-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.81
Rot. Bonds2

About 2-methyl-N-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)propanamide

2-methyl-N-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)propanamide (PubChem CID 22239886) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-methyl-N-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)propanamide
PubChem CID22239886
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-methyl-N-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)propanamide
SMILESCC1=CC(C)(NC(=O)C(C)C)C(C)=C1C
InChIInChI=1S/C13H21NO/c1-8(2)12(15)14-13(6)7-9(3)10(4)11(13)5/h7-8H,1-6H3,(H,14,15)
InChIKeyRVBRWRSXYLEREC-UHFFFAOYSA-N
XLogP2.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)propanamide?
The IUPAC name of 2-methyl-N-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)propanamide (CID 22239886) is 2-methyl-N-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)propanamide?
The canonical SMILES for 2-methyl-N-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)propanamide is CC1=CC(C)(NC(=O)C(C)C)C(C)=C1C.
What is the InChIKey of 2-methyl-N-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)propanamide?
The InChIKey is RVBRWRSXYLEREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-8(2)12(15)14-13(6)7-9(3)10(4)11(13)5/h7-8H,1-6H3,(H,14,15).
What are the key properties of 2-methyl-N-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)propanamide?
2-methyl-N-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)propanamide has a molecular weight of 207.32 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2,3,4-tetramethylcyclopenta-2,4-dien-1-yl)propanamide is sourced from PubChem (CID 22239886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).