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

C10H16N2O — CID 90833384

IUPAC2-amino-2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide
SMILESCC1=CC(C)=C(C(N)C(N)=O)CC1
InChIInChI=1S/C10H16N2O/c1-6-3-4-8(7(2)5-6)9(11)10(12)13/h5,9H,3-4,11H2,1-2H3,(H2,12,13)
InChIKeyAERNSPPRFLOXOW-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.86
Rot. Bonds2

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

2-amino-2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide (PubChem CID 90833384) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-amino-2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide.

Molecular Properties

Compound Name2-amino-2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide
PubChem CID90833384
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-amino-2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide
SMILESCC1=CC(C)=C(C(N)C(N)=O)CC1
InChIInChI=1S/C10H16N2O/c1-6-3-4-8(7(2)5-6)9(11)10(12)13/h5,9H,3-4,11H2,1-2H3,(H2,12,13)
InChIKeyAERNSPPRFLOXOW-UHFFFAOYSA-N
XLogP0.86
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide?
The IUPAC name of 2-amino-2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide (CID 90833384) is 2-amino-2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide.
What is the SMILES notation for 2-amino-2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide?
The canonical SMILES for 2-amino-2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide is CC1=CC(C)=C(C(N)C(N)=O)CC1.
What is the InChIKey of 2-amino-2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide?
The InChIKey is AERNSPPRFLOXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-6-3-4-8(7(2)5-6)9(11)10(12)13/h5,9H,3-4,11H2,1-2H3,(H2,12,13).
What are the key properties of 2-amino-2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide?
2-amino-2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide has a molecular weight of 180.25 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,4-dimethylcyclohexa-1,3-dien-1-yl)acetamide is sourced from PubChem (CID 90833384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).