N-cyclohexa-1,3-dien-1-ylacetamide

C8H11NO — CID 19382580

IUPACN-cyclohexa-1,3-dien-1-ylacetamide
SMILESCC(=O)NC1=CC=CCC1
InChIInChI=1S/C8H11NO/c1-7(10)9-8-5-3-2-4-6-8/h2-3,5H,4,6H2,1H3,(H,9,10)
InChIKeyGLVVWUCRILSMPZ-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.36
Rot. Bonds1

About N-cyclohexa-1,3-dien-1-ylacetamide

N-cyclohexa-1,3-dien-1-ylacetamide (PubChem CID 19382580) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is N-cyclohexa-1,3-dien-1-ylacetamide.

Molecular Properties

Compound NameN-cyclohexa-1,3-dien-1-ylacetamide
PubChem CID19382580
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC NameN-cyclohexa-1,3-dien-1-ylacetamide
SMILESCC(=O)NC1=CC=CCC1
InChIInChI=1S/C8H11NO/c1-7(10)9-8-5-3-2-4-6-8/h2-3,5H,4,6H2,1H3,(H,9,10)
InChIKeyGLVVWUCRILSMPZ-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,3-dien-1-ylacetamide?
The IUPAC name of N-cyclohexa-1,3-dien-1-ylacetamide (CID 19382580) is N-cyclohexa-1,3-dien-1-ylacetamide.
What is the SMILES notation for N-cyclohexa-1,3-dien-1-ylacetamide?
The canonical SMILES for N-cyclohexa-1,3-dien-1-ylacetamide is CC(=O)NC1=CC=CCC1.
What is the InChIKey of N-cyclohexa-1,3-dien-1-ylacetamide?
The InChIKey is GLVVWUCRILSMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-7(10)9-8-5-3-2-4-6-8/h2-3,5H,4,6H2,1H3,(H,9,10).
What are the key properties of N-cyclohexa-1,3-dien-1-ylacetamide?
N-cyclohexa-1,3-dien-1-ylacetamide has a molecular weight of 137.18 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,3-dien-1-ylacetamide is sourced from PubChem (CID 19382580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).