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

C14H19NO3 — CID 141030782

IUPAC2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-N-(2-oxooxolan-3-yl)acetamide
SMILESCC1=CC=CCC1(C)CC(=O)NC1CCOC1=O
InChIInChI=1S/C14H19NO3/c1-10-5-3-4-7-14(10,2)9-12(16)15-11-6-8-18-13(11)17/h3-5,11H,6-9H2,1-2H3,(H,15,16)
InChIKeyKIHZHZSERBLGSS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.72
Rot. Bonds3

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

2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-N-(2-oxooxolan-3-yl)acetamide (PubChem CID 141030782) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-N-(2-oxooxolan-3-yl)acetamide.

Molecular Properties

Compound Name2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-N-(2-oxooxolan-3-yl)acetamide
PubChem CID141030782
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-N-(2-oxooxolan-3-yl)acetamide
SMILESCC1=CC=CCC1(C)CC(=O)NC1CCOC1=O
InChIInChI=1S/C14H19NO3/c1-10-5-3-4-7-14(10,2)9-12(16)15-11-6-8-18-13(11)17/h3-5,11H,6-9H2,1-2H3,(H,15,16)
InChIKeyKIHZHZSERBLGSS-UHFFFAOYSA-N
XLogP1.72
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-N-(2-oxooxolan-3-yl)acetamide?
The IUPAC name of 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-N-(2-oxooxolan-3-yl)acetamide (CID 141030782) is 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-N-(2-oxooxolan-3-yl)acetamide.
What is the SMILES notation for 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-N-(2-oxooxolan-3-yl)acetamide?
The canonical SMILES for 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-N-(2-oxooxolan-3-yl)acetamide is CC1=CC=CCC1(C)CC(=O)NC1CCOC1=O.
What is the InChIKey of 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-N-(2-oxooxolan-3-yl)acetamide?
The InChIKey is KIHZHZSERBLGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-5-3-4-7-14(10,2)9-12(16)15-11-6-8-18-13(11)17/h3-5,11H,6-9H2,1-2H3,(H,15,16).
What are the key properties of 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-N-(2-oxooxolan-3-yl)acetamide?
2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-N-(2-oxooxolan-3-yl)acetamide has a molecular weight of 249.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dimethylcyclohexa-2,4-dien-1-yl)-N-(2-oxooxolan-3-yl)acetamide is sourced from PubChem (CID 141030782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).