N-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)acetamide

C8H11NO3 — CID 155672748

IUPACN-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=CCC(O)(O)C=C1
InChIInChI=1S/C8H11NO3/c1-6(10)9-7-2-4-8(11,12)5-3-7/h2-4,11-12H,5H2,1H3,(H,9,10)
InChIKeyOOUUDACQXILZQN-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.35
Rot. Bonds1

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

N-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 155672748) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is N-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)acetamide
PubChem CID155672748
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC NameN-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=CCC(O)(O)C=C1
InChIInChI=1S/C8H11NO3/c1-6(10)9-7-2-4-8(11,12)5-3-7/h2-4,11-12H,5H2,1H3,(H,9,10)
InChIKeyOOUUDACQXILZQN-UHFFFAOYSA-N
XLogP-0.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(4-ethoxy-4-nitrocyclohexa-1,5-dien-1-yl)acetamide
CID 142470044
N-(1,2-dihydropyridin-4-yl)acetamide
CID 121306850
N-cyclohepta-1,4,6-trien-1-ylacetamide
CID 142183927
2-amino-N-(4,4-dimethylcyclohexa-1,5-dien-1-yl)propanamide
CID 170232396
1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylic acid
CID 68808344
4-[1,4-bis(methylamino)cyclohexa-2,4-dien-1-yl]butan-2-one
CID 174679013
1,4-bis(methylamino)cyclohexa-2,4-diene-1-carboxylic acid;butan-2-one
CID 162179453
3-acetamido-1-aminocyclohexa-2,4-diene-1-sulfonic acid
CID 140510937
bis(carbonochloridic acid);(4,4-dihydroxycyclohexa-1,5-dien-1-yl)-phenylmethanone
CID 160659155
N-(3-acetamidocyclohexa-1,3-dien-1-yl)acetamide
CID 89036073
1,4-bis(ethylamino)cyclohexa-2,4-dien-1-ol
CID 174854839
2-[[1,4-bis(methylamino)cyclohexa-2,4-dien-1-yl]amino]acetic acid
CID 174634306

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of N-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)acetamide (CID 155672748) is N-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for N-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for N-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)acetamide is CC(=O)NC1=CCC(O)(O)C=C1.
What is the InChIKey of N-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is OOUUDACQXILZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c1-6(10)9-7-2-4-8(11,12)5-3-7/h2-4,11-12H,5H2,1H3,(H,9,10).
What are the key properties of N-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)acetamide?
N-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)acetamide has a molecular weight of 169.18 g/mol, XLogP of -0.35, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dihydroxycyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 155672748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).