N-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide

C10H14N2O2 — CID 89036073

IUPACN-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide
SMILESCC(=O)NC1=CCCC(NC(C)=O)=C1
InChIInChI=1S/C10H14N2O2/c1-7(13)11-9-4-3-5-10(6-9)12-8(2)14/h4,6H,3,5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyXIAIHWJFJSECSL-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.82
Rot. Bonds2

About N-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide

N-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide (PubChem CID 89036073) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is N-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide
PubChem CID89036073
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC NameN-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide
SMILESCC(=O)NC1=CCCC(NC(C)=O)=C1
InChIInChI=1S/C10H14N2O2/c1-7(13)11-9-4-3-5-10(6-9)12-8(2)14/h4,6H,3,5H2,1-2H3,(H,11,13)(H,12,14)
InChIKeyXIAIHWJFJSECSL-UHFFFAOYSA-N
XLogP0.82
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide?
The IUPAC name of N-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide (CID 89036073) is N-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide.
What is the SMILES notation for N-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide?
The canonical SMILES for N-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide is CC(=O)NC1=CCCC(NC(C)=O)=C1.
What is the InChIKey of N-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide?
The InChIKey is XIAIHWJFJSECSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7(13)11-9-4-3-5-10(6-9)12-8(2)14/h4,6H,3,5H2,1-2H3,(H,11,13)(H,12,14).
What are the key properties of N-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide?
N-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide has a molecular weight of 194.23 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide is sourced from PubChem (CID 89036073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).