N-(1-ethenylcyclohexa-2,4-dien-1-yl)acetamide

C10H13NO — CID 22256022

IUPACN-(1-ethenylcyclohexa-2,4-dien-1-yl)acetamide
SMILESC=CC1(NC(C)=O)C=CC=CC1
InChIInChI=1S/C10H13NO/c1-3-10(11-9(2)12)7-5-4-6-8-10/h3-7H,1,8H2,2H3,(H,11,12)
InChIKeyGREFRDOPRLKVNU-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.56
Rot. Bonds2

About N-(1-ethenylcyclohexa-2,4-dien-1-yl)acetamide

N-(1-ethenylcyclohexa-2,4-dien-1-yl)acetamide (PubChem CID 22256022) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-(1-ethenylcyclohexa-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(1-ethenylcyclohexa-2,4-dien-1-yl)acetamide
PubChem CID22256022
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-(1-ethenylcyclohexa-2,4-dien-1-yl)acetamide
SMILESC=CC1(NC(C)=O)C=CC=CC1
InChIInChI=1S/C10H13NO/c1-3-10(11-9(2)12)7-5-4-6-8-10/h3-7H,1,8H2,2H3,(H,11,12)
InChIKeyGREFRDOPRLKVNU-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(1-ethenylcyclohexa-2,4-dien-1-yl)acetamide?
The IUPAC name of N-(1-ethenylcyclohexa-2,4-dien-1-yl)acetamide (CID 22256022) is N-(1-ethenylcyclohexa-2,4-dien-1-yl)acetamide.
What is the SMILES notation for N-(1-ethenylcyclohexa-2,4-dien-1-yl)acetamide?
The canonical SMILES for N-(1-ethenylcyclohexa-2,4-dien-1-yl)acetamide is C=CC1(NC(C)=O)C=CC=CC1.
What is the InChIKey of N-(1-ethenylcyclohexa-2,4-dien-1-yl)acetamide?
The InChIKey is GREFRDOPRLKVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-10(11-9(2)12)7-5-4-6-8-10/h3-7H,1,8H2,2H3,(H,11,12).
What are the key properties of N-(1-ethenylcyclohexa-2,4-dien-1-yl)acetamide?
N-(1-ethenylcyclohexa-2,4-dien-1-yl)acetamide has a molecular weight of 163.22 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethenylcyclohexa-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 22256022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).