N-(4-amino-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide

C9H10N2O3 — CID 89320477

IUPACN-(4-amino-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC(=O)C(N)=C(C)C1=O
InChIInChI=1S/C9H10N2O3/c1-4-8(10)7(13)3-6(9(4)14)11-5(2)12/h3H,10H2,1-2H3,(H,11,12)
InChIKeyBGPXPNWTPXRRBN-UHFFFAOYSA-N
MW194.19 g/mol
LogP-0.61
Rot. Bonds1

About N-(4-amino-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide

N-(4-amino-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide (PubChem CID 89320477) has the molecular formula C9H10N2O3 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-(4-amino-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-amino-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide
PubChem CID89320477
Molecular FormulaC9H10N2O3
Molecular Weight194.19 g/mol
Exact Mass194.07
IUPAC NameN-(4-amino-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC(=O)C(N)=C(C)C1=O
InChIInChI=1S/C9H10N2O3/c1-4-8(10)7(13)3-6(9(4)14)11-5(2)12/h3H,10H2,1-2H3,(H,11,12)
InChIKeyBGPXPNWTPXRRBN-UHFFFAOYSA-N
XLogP-0.61
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'chinone_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-amino-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide?
The IUPAC name of N-(4-amino-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide (CID 89320477) is N-(4-amino-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide.
What is the SMILES notation for N-(4-amino-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide?
The canonical SMILES for N-(4-amino-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide is CC(=O)NC1=CC(=O)C(N)=C(C)C1=O.
What is the InChIKey of N-(4-amino-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide?
The InChIKey is BGPXPNWTPXRRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3/c1-4-8(10)7(13)3-6(9(4)14)11-5(2)12/h3H,10H2,1-2H3,(H,11,12).
What are the key properties of N-(4-amino-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide?
N-(4-amino-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide has a molecular weight of 194.19 g/mol, XLogP of -0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-5-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)acetamide is sourced from PubChem (CID 89320477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).