N-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide

C10H15NO — CID 18767980

IUPACN-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide
SMILESCC(=O)NC1(C)C=C(C)C=CC1
InChIInChI=1S/C10H15NO/c1-8-5-4-6-10(3,7-8)11-9(2)12/h4-5,7H,6H2,1-3H3,(H,11,12)
InChIKeyZJPJOKGQTCEFPA-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.79
Rot. Bonds1

About N-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide

N-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide (PubChem CID 18767980) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is N-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide
PubChem CID18767980
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC NameN-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide
SMILESCC(=O)NC1(C)C=C(C)C=CC1
InChIInChI=1S/C10H15NO/c1-8-5-4-6-10(3,7-8)11-9(2)12/h4-5,7H,6H2,1-3H3,(H,11,12)
InChIKeyZJPJOKGQTCEFPA-UHFFFAOYSA-N
XLogP1.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide?
The IUPAC name of N-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide (CID 18767980) is N-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide.
What is the SMILES notation for N-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide?
The canonical SMILES for N-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide is CC(=O)NC1(C)C=C(C)C=CC1.
What is the InChIKey of N-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide?
The InChIKey is ZJPJOKGQTCEFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-8-5-4-6-10(3,7-8)11-9(2)12/h4-5,7H,6H2,1-3H3,(H,11,12).
What are the key properties of N-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide?
N-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide has a molecular weight of 165.24 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylcyclohexa-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 18767980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).