N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide

C13H21NO — CID 10856679

IUPACN-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(C)(C)C1C=CC=C1
InChIInChI=1S/C13H21NO/c1-12(2,3)11(15)14-13(4,5)10-8-6-7-9-10/h6-10H,1-5H3,(H,14,15)
InChIKeyUBTHSULSAQIDLM-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.67
Rot. Bonds2

About N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide

N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide (PubChem CID 10856679) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide
PubChem CID10856679
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC NameN-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC(C)(C)C1C=CC=C1
InChIInChI=1S/C13H21NO/c1-12(2,3)11(15)14-13(4,5)10-8-6-7-9-10/h6-10H,1-5H3,(H,14,15)
InChIKeyUBTHSULSAQIDLM-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide (CID 10856679) is N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC(C)(C)C1C=CC=C1.
What is the InChIKey of N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide?
The InChIKey is UBTHSULSAQIDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-12(2,3)11(15)14-13(4,5)10-8-6-7-9-10/h6-10H,1-5H3,(H,14,15).
What are the key properties of N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide?
N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide has a molecular weight of 207.32 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopenta-2,4-dien-1-ylpropan-2-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 10856679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).