N-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide

C11H17NO — CID 23070366

IUPACN-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1=CC=CCC1
InChIInChI=1S/C11H17NO/c1-11(2,3)10(13)12-9-7-5-4-6-8-9/h4-5,7H,6,8H2,1-3H3,(H,12,13)
InChIKeyYLBWRHCSQMMZSO-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.38
Rot. Bonds1

About N-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide

N-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide (PubChem CID 23070366) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide
PubChem CID23070366
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1=CC=CCC1
InChIInChI=1S/C11H17NO/c1-11(2,3)10(13)12-9-7-5-4-6-8-9/h4-5,7H,6,8H2,1-3H3,(H,12,13)
InChIKeyYLBWRHCSQMMZSO-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide?
The IUPAC name of N-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide (CID 23070366) is N-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide?
The canonical SMILES for N-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1=CC=CCC1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide?
The InChIKey is YLBWRHCSQMMZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2,3)10(13)12-9-7-5-4-6-8-9/h4-5,7H,6,8H2,1-3H3,(H,12,13).
What are the key properties of N-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide?
N-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide has a molecular weight of 179.26 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-yl-2,2-dimethylpropanamide is sourced from PubChem (CID 23070366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).