N-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide

C8H11NO4 — CID 14609651

IUPACN-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide
SMILESCC(=O)NC1=CC(O)C(O)CC1=O
InChIInChI=1S/C8H11NO4/c1-4(10)9-5-2-7(12)8(13)3-6(5)11/h2,7-8,12-13H,3H2,1H3,(H,9,10)
InChIKeyIXJGDLQDYQZOBH-UHFFFAOYSA-N
MW185.18 g/mol
LogP-1.30
Rot. Bonds1

About N-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide

N-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide (PubChem CID 14609651) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is N-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide
PubChem CID14609651
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC NameN-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide
SMILESCC(=O)NC1=CC(O)C(O)CC1=O
InChIInChI=1S/C8H11NO4/c1-4(10)9-5-2-7(12)8(13)3-6(5)11/h2,7-8,12-13H,3H2,1H3,(H,9,10)
InChIKeyIXJGDLQDYQZOBH-UHFFFAOYSA-N
XLogP-1.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide?
The IUPAC name of N-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide (CID 14609651) is N-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide?
The canonical SMILES for N-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide is CC(=O)NC1=CC(O)C(O)CC1=O.
What is the InChIKey of N-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide?
The InChIKey is IXJGDLQDYQZOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-4(10)9-5-2-7(12)8(13)3-6(5)11/h2,7-8,12-13H,3H2,1H3,(H,9,10).
What are the key properties of N-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide?
N-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide has a molecular weight of 185.18 g/mol, XLogP of -1.30, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydroxy-6-oxocyclohexen-1-yl)acetamide is sourced from PubChem (CID 14609651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).