2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-N-methylacetamide

C11H17NO — CID 67626962

IUPAC2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1C=CC=CC1(C)C
InChIInChI=1S/C11H17NO/c1-11(2)7-5-4-6-9(11)8-10(13)12-3/h4-7,9H,8H2,1-3H3,(H,12,13)
InChIKeyYMVDBHDDGWUBKH-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.89
Rot. Bonds2

About 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-N-methylacetamide

2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-N-methylacetamide (PubChem CID 67626962) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-N-methylacetamide
PubChem CID67626962
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-N-methylacetamide
SMILESCNC(=O)CC1C=CC=CC1(C)C
InChIInChI=1S/C11H17NO/c1-11(2)7-5-4-6-9(11)8-10(13)12-3/h4-7,9H,8H2,1-3H3,(H,12,13)
InChIKeyYMVDBHDDGWUBKH-UHFFFAOYSA-N
XLogP1.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-N-methylacetamide?
The IUPAC name of 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-N-methylacetamide (CID 67626962) is 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-N-methylacetamide is CNC(=O)CC1C=CC=CC1(C)C.
What is the InChIKey of 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-N-methylacetamide?
The InChIKey is YMVDBHDDGWUBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-11(2)7-5-4-6-9(11)8-10(13)12-3/h4-7,9H,8H2,1-3H3,(H,12,13).
What are the key properties of 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-N-methylacetamide?
2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-N-methylacetamide has a molecular weight of 179.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-dimethylcyclohexa-2,4-dien-1-yl)-N-methylacetamide is sourced from PubChem (CID 67626962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).