1-ethylcyclohexa-3,5-diene-1,3-dicarboxamide

C10H14N2O2 — CID 154327658

IUPAC1-ethylcyclohexa-3,5-diene-1,3-dicarboxamide
SMILESCCC1(C(N)=O)C=CC=C(C(N)=O)C1
InChIInChI=1S/C10H14N2O2/c1-2-10(9(12)14)5-3-4-7(6-10)8(11)13/h3-5H,2,6H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyHMOIOUCGWDPMCY-UHFFFAOYSA-N
MW194.23 g/mol
LogP0.24
Rot. Bonds3

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

1-ethylcyclohexa-3,5-diene-1,3-dicarboxamide (PubChem CID 154327658) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-ethylcyclohexa-3,5-diene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-ethylcyclohexa-3,5-diene-1,3-dicarboxamide
PubChem CID154327658
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-ethylcyclohexa-3,5-diene-1,3-dicarboxamide
SMILESCCC1(C(N)=O)C=CC=C(C(N)=O)C1
InChIInChI=1S/C10H14N2O2/c1-2-10(9(12)14)5-3-4-7(6-10)8(11)13/h3-5H,2,6H2,1H3,(H2,11,13)(H2,12,14)
InChIKeyHMOIOUCGWDPMCY-UHFFFAOYSA-N
XLogP0.24
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethylcyclohexa-3,5-diene-1,3-dicarboxamide?
The IUPAC name of 1-ethylcyclohexa-3,5-diene-1,3-dicarboxamide (CID 154327658) is 1-ethylcyclohexa-3,5-diene-1,3-dicarboxamide.
What is the SMILES notation for 1-ethylcyclohexa-3,5-diene-1,3-dicarboxamide?
The canonical SMILES for 1-ethylcyclohexa-3,5-diene-1,3-dicarboxamide is CCC1(C(N)=O)C=CC=C(C(N)=O)C1.
What is the InChIKey of 1-ethylcyclohexa-3,5-diene-1,3-dicarboxamide?
The InChIKey is HMOIOUCGWDPMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-10(9(12)14)5-3-4-7(6-10)8(11)13/h3-5H,2,6H2,1H3,(H2,11,13)(H2,12,14).
What are the key properties of 1-ethylcyclohexa-3,5-diene-1,3-dicarboxamide?
1-ethylcyclohexa-3,5-diene-1,3-dicarboxamide has a molecular weight of 194.23 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylcyclohexa-3,5-diene-1,3-dicarboxamide is sourced from PubChem (CID 154327658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).