N-(5-methoxycyclohexa-2,4-dien-1-yl)acetamide

C9H13NO2 — CID 88977530

IUPACN-(5-methoxycyclohexa-2,4-dien-1-yl)acetamide
SMILESCOC1=CC=CC(NC(C)=O)C1
InChIInChI=1S/C9H13NO2/c1-7(11)10-8-4-3-5-9(6-8)12-2/h3-5,8H,6H2,1-2H3,(H,10,11)
InChIKeyMBAPLWLIABQOFV-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.98
Rot. Bonds2

About N-(5-methoxycyclohexa-2,4-dien-1-yl)acetamide

N-(5-methoxycyclohexa-2,4-dien-1-yl)acetamide (PubChem CID 88977530) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(5-methoxycyclohexa-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-methoxycyclohexa-2,4-dien-1-yl)acetamide
PubChem CID88977530
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC NameN-(5-methoxycyclohexa-2,4-dien-1-yl)acetamide
SMILESCOC1=CC=CC(NC(C)=O)C1
InChIInChI=1S/C9H13NO2/c1-7(11)10-8-4-3-5-9(6-8)12-2/h3-5,8H,6H2,1-2H3,(H,10,11)
InChIKeyMBAPLWLIABQOFV-UHFFFAOYSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethoxy-2-methyl-2,3-dihydro-1H-pyridin-6-one
CID 10678456
N-cyclohexa-2,4-dien-1-ylacetamide
CID 12177441
(3-Acetamidocyclohexa-1,5-dien-1-yl) formate
CID 57143476
N-(3-methoxy-4-methylcyclohexa-2,4-dien-1-yl)acetamide
CID 58773924
N-(4-methoxy-3-methylcyclohexa-2,4-dien-1-yl)acetamide
CID 58773949
N-(3,4-dihydro-2H-pyran-4-yl)acetamide
CID 70641353
N-(4-methoxycyclohexa-2,4-dien-1-yl)acetamide
CID 89073504
N-[(6S)-4-methoxy-6-methylcyclohexa-2,4-dien-1-yl]acetamide
CID 89313756
N-(3-methoxy-6-methylcyclohexa-2,4-dien-1-yl)acetamide
CID 130184339
N-cyclohexa-2,4-dien-1-ylacetamide;ethane
CID 143325816
CID 156793801
CID 156793801
N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-yl]acetamide
CID 174551989

Frequently Asked Questions

What is the IUPAC name of N-(5-methoxycyclohexa-2,4-dien-1-yl)acetamide?
The IUPAC name of N-(5-methoxycyclohexa-2,4-dien-1-yl)acetamide (CID 88977530) is N-(5-methoxycyclohexa-2,4-dien-1-yl)acetamide.
What is the SMILES notation for N-(5-methoxycyclohexa-2,4-dien-1-yl)acetamide?
The canonical SMILES for N-(5-methoxycyclohexa-2,4-dien-1-yl)acetamide is COC1=CC=CC(NC(C)=O)C1.
What is the InChIKey of N-(5-methoxycyclohexa-2,4-dien-1-yl)acetamide?
The InChIKey is MBAPLWLIABQOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-7(11)10-8-4-3-5-9(6-8)12-2/h3-5,8H,6H2,1-2H3,(H,10,11).
What are the key properties of N-(5-methoxycyclohexa-2,4-dien-1-yl)acetamide?
N-(5-methoxycyclohexa-2,4-dien-1-yl)acetamide has a molecular weight of 167.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxycyclohexa-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 88977530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).