(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide

C8H12N2O — CID 67644759

IUPAC(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide
SMILESNC(=O)[C@H](N)C1=CCC=CC1
InChIInChI=1S/C8H12N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,5,7H,3-4,9H2,(H2,10,11)/t7-/m1/s1
InChIKeyLZMGQXOXSJIVKO-SSDOTTSWSA-N
MW152.20 g/mol
LogP0.08
Rot. Bonds2

About (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide

(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide (PubChem CID 67644759) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide.

Molecular Properties

Compound Name(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide
PubChem CID67644759
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide
SMILESNC(=O)[C@H](N)C1=CCC=CC1
InChIInChI=1S/C8H12N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,5,7H,3-4,9H2,(H2,10,11)/t7-/m1/s1
InChIKeyLZMGQXOXSJIVKO-SSDOTTSWSA-N
XLogP0.08
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide?
The IUPAC name of (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide (CID 67644759) is (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide.
What is the SMILES notation for (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide?
The canonical SMILES for (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide is NC(=O)[C@H](N)C1=CCC=CC1.
What is the InChIKey of (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide?
The InChIKey is LZMGQXOXSJIVKO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H12N2O/c9-7(8(10)11)6-4-2-1-3-5-6/h1-2,5,7H,3-4,9H2,(H2,10,11)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide?
(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide has a molecular weight of 152.20 g/mol, XLogP of 0.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetamide is sourced from PubChem (CID 67644759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).