N-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetamide

C10H11NO3 — CID 6450056

IUPACN-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetamide
SMILESCC(=O)NC/C=C1\C=CC(=O)C(O)=C1
InChIInChI=1S/C10H11NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-4,6,14H,5H2,1H3,(H,11,12)/b8-4+
InChIKeyHZUDLKIKKKYMQA-XBXARRHUSA-N
MW193.20 g/mol
LogP0.63
Rot. Bonds2

About N-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetamide

N-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetamide (PubChem CID 6450056) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is N-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetamide.

Molecular Properties

Compound NameN-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetamide
PubChem CID6450056
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC NameN-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetamide
SMILESCC(=O)NC/C=C1\C=CC(=O)C(O)=C1
InChIInChI=1S/C10H11NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-4,6,14H,5H2,1H3,(H,11,12)/b8-4+
InChIKeyHZUDLKIKKKYMQA-XBXARRHUSA-N
XLogP0.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetamide?
The IUPAC name of N-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetamide (CID 6450056) is N-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetamide.
What is the SMILES notation for N-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetamide?
The canonical SMILES for N-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetamide is CC(=O)NC/C=C1\C=CC(=O)C(O)=C1.
What is the InChIKey of N-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetamide?
The InChIKey is HZUDLKIKKKYMQA-XBXARRHUSA-N. The full InChI is InChI=1S/C10H11NO3/c1-7(12)11-5-4-8-2-3-9(13)10(14)6-8/h2-4,6,14H,5H2,1H3,(H,11,12)/b8-4+.
What are the key properties of N-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetamide?
N-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetamide has a molecular weight of 193.20 g/mol, XLogP of 0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-2-(3-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethyl]acetamide is sourced from PubChem (CID 6450056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).