2-amino-N-cyclohexa-1,4-dien-1-ylacetamide

C8H12N2O — CID 18786860

IUPAC2-amino-N-cyclohexa-1,4-dien-1-ylacetamide
SMILESNCC(=O)NC1=CCC=CC1
InChIInChI=1S/C8H12N2O/c9-6-8(11)10-7-4-2-1-3-5-7/h1-2,5H,3-4,6,9H2,(H,10,11)
InChIKeyZEWMKRQHUCTMHA-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.30
Rot. Bonds2

About 2-amino-N-cyclohexa-1,4-dien-1-ylacetamide

2-amino-N-cyclohexa-1,4-dien-1-ylacetamide (PubChem CID 18786860) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-amino-N-cyclohexa-1,4-dien-1-ylacetamide.

Molecular Properties

Compound Name2-amino-N-cyclohexa-1,4-dien-1-ylacetamide
PubChem CID18786860
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-amino-N-cyclohexa-1,4-dien-1-ylacetamide
SMILESNCC(=O)NC1=CCC=CC1
InChIInChI=1S/C8H12N2O/c9-6-8(11)10-7-4-2-1-3-5-7/h1-2,5H,3-4,6,9H2,(H,10,11)
InChIKeyZEWMKRQHUCTMHA-UHFFFAOYSA-N
XLogP0.30
TPSA55.12 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 ≤ 50.30
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 2-amino-N-cyclohexa-1,4-dien-1-ylacetamide?
The IUPAC name of 2-amino-N-cyclohexa-1,4-dien-1-ylacetamide (CID 18786860) is 2-amino-N-cyclohexa-1,4-dien-1-ylacetamide.
What is the SMILES notation for 2-amino-N-cyclohexa-1,4-dien-1-ylacetamide?
The canonical SMILES for 2-amino-N-cyclohexa-1,4-dien-1-ylacetamide is NCC(=O)NC1=CCC=CC1.
What is the InChIKey of 2-amino-N-cyclohexa-1,4-dien-1-ylacetamide?
The InChIKey is ZEWMKRQHUCTMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-6-8(11)10-7-4-2-1-3-5-7/h1-2,5H,3-4,6,9H2,(H,10,11).
What are the key properties of 2-amino-N-cyclohexa-1,4-dien-1-ylacetamide?
2-amino-N-cyclohexa-1,4-dien-1-ylacetamide has a molecular weight of 152.20 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexa-1,4-dien-1-ylacetamide is sourced from PubChem (CID 18786860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).