N-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide

C9H12N2O2 — CID 22228276

IUPACN-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide
SMILESCC(=O)NC(=O)NC1=CCCC=C1
InChIInChI=1S/C9H12N2O2/c1-7(12)10-9(13)11-8-5-3-2-4-6-8/h3,5-6H,2,4H2,1H3,(H2,10,11,12,13)
InChIKeyTYYCELLTMLQMRZ-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.07
Rot. Bonds1

About N-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide

N-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide (PubChem CID 22228276) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide.

Molecular Properties

Compound NameN-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide
PubChem CID22228276
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide
SMILESCC(=O)NC(=O)NC1=CCCC=C1
InChIInChI=1S/C9H12N2O2/c1-7(12)10-9(13)11-8-5-3-2-4-6-8/h3,5-6H,2,4H2,1H3,(H2,10,11,12,13)
InChIKeyTYYCELLTMLQMRZ-UHFFFAOYSA-N
XLogP1.07
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide?
The IUPAC name of N-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide (CID 22228276) is N-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide.
What is the SMILES notation for N-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide?
The canonical SMILES for N-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide is CC(=O)NC(=O)NC1=CCCC=C1.
What is the InChIKey of N-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide?
The InChIKey is TYYCELLTMLQMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-7(12)10-9(13)11-8-5-3-2-4-6-8/h3,5-6H,2,4H2,1H3,(H2,10,11,12,13).
What are the key properties of N-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide?
N-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide has a molecular weight of 180.21 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexa-1,5-dien-1-ylcarbamoyl)acetamide is sourced from PubChem (CID 22228276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).