2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)acetamide

C10H15NO — CID 141206714

IUPAC2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)acetamide
SMILESCC1=CC=CCC1(C)CC(N)=O
InChIInChI=1S/C10H15NO/c1-8-5-3-4-6-10(8,2)7-9(11)12/h3-5H,6-7H2,1-2H3,(H2,11,12)
InChIKeyZFCCROQHOUWCGH-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.77
Rot. Bonds2

About 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)acetamide

2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)acetamide (PubChem CID 141206714) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)acetamide
PubChem CID141206714
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)acetamide
SMILESCC1=CC=CCC1(C)CC(N)=O
InChIInChI=1S/C10H15NO/c1-8-5-3-4-6-10(8,2)7-9(11)12/h3-5H,6-7H2,1-2H3,(H2,11,12)
InChIKeyZFCCROQHOUWCGH-UHFFFAOYSA-N
XLogP1.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)acetamide?
The IUPAC name of 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)acetamide (CID 141206714) is 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)acetamide.
What is the SMILES notation for 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)acetamide?
The canonical SMILES for 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)acetamide is CC1=CC=CCC1(C)CC(N)=O.
What is the InChIKey of 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)acetamide?
The InChIKey is ZFCCROQHOUWCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-5-3-4-6-10(8,2)7-9(11)12/h3-5H,6-7H2,1-2H3,(H2,11,12).
What are the key properties of 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)acetamide?
2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)acetamide has a molecular weight of 165.24 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 141206714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).