5-acetylcyclohexa-1,3-diene-1,3-dicarboxamide

C10H12N2O3 — CID 123783966

IUPAC5-acetylcyclohexa-1,3-diene-1,3-dicarboxamide
SMILESCC(=O)C1C=C(C(N)=O)C=C(C(N)=O)C1
InChIInChI=1S/C10H12N2O3/c1-5(13)6-2-7(9(11)14)4-8(3-6)10(12)15/h2,4,6H,3H2,1H3,(H2,11,14)(H2,12,15)
InChIKeyMKUYCBMSYFCELS-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.58
Rot. Bonds3

About 5-acetylcyclohexa-1,3-diene-1,3-dicarboxamide

5-acetylcyclohexa-1,3-diene-1,3-dicarboxamide (PubChem CID 123783966) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-acetylcyclohexa-1,3-diene-1,3-dicarboxamide.

Molecular Properties

Compound Name5-acetylcyclohexa-1,3-diene-1,3-dicarboxamide
PubChem CID123783966
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name5-acetylcyclohexa-1,3-diene-1,3-dicarboxamide
SMILESCC(=O)C1C=C(C(N)=O)C=C(C(N)=O)C1
InChIInChI=1S/C10H12N2O3/c1-5(13)6-2-7(9(11)14)4-8(3-6)10(12)15/h2,4,6H,3H2,1H3,(H2,11,14)(H2,12,15)
InChIKeyMKUYCBMSYFCELS-UHFFFAOYSA-N
XLogP-0.58
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,5-dichlorocyclohexa-2,4-dien-1-yl)ethanone
CID 129044609
6-oxo-2,3-dihydropyran-4-carboxamide
CID 55282040
5-methylcyclohexa-1,3-diene-1,3-dicarboxylic acid
CID 149049652
1-(5-aminocyclohexa-2,4-dien-1-yl)ethanone
CID 70328282
4-acetylcyclopent-2-en-1-one
CID 16753251
(3aS,6aR)-1,3a,4,5,6,6a-hexahydropentalene-2-carboxamide
CID 130979837
5-hydroxycyclohexa-1,5-diene-1-carboxamide
CID 89094730
5-(4-carboxyphenyl)cyclohexa-1,3-diene-1,3-dicarboxylic acid
CID 144851334
1-(3,4,6-triacetylcyclohexa-2,4-dien-1-yl)ethanone
CID 163919126
5-acetylcyclohex-3-en-1-one
CID 45085527
5-ethoxycyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 126711810
[(6R)-3-carbamoyl-6-methylcyclohexa-1,3-dien-1-yl]boronic acid
CID 89383473

Frequently Asked Questions

What is the IUPAC name of 5-acetylcyclohexa-1,3-diene-1,3-dicarboxamide?
The IUPAC name of 5-acetylcyclohexa-1,3-diene-1,3-dicarboxamide (CID 123783966) is 5-acetylcyclohexa-1,3-diene-1,3-dicarboxamide.
What is the SMILES notation for 5-acetylcyclohexa-1,3-diene-1,3-dicarboxamide?
The canonical SMILES for 5-acetylcyclohexa-1,3-diene-1,3-dicarboxamide is CC(=O)C1C=C(C(N)=O)C=C(C(N)=O)C1.
What is the InChIKey of 5-acetylcyclohexa-1,3-diene-1,3-dicarboxamide?
The InChIKey is MKUYCBMSYFCELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-5(13)6-2-7(9(11)14)4-8(3-6)10(12)15/h2,4,6H,3H2,1H3,(H2,11,14)(H2,12,15).
What are the key properties of 5-acetylcyclohexa-1,3-diene-1,3-dicarboxamide?
5-acetylcyclohexa-1,3-diene-1,3-dicarboxamide has a molecular weight of 208.22 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetylcyclohexa-1,3-diene-1,3-dicarboxamide is sourced from PubChem (CID 123783966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).