1-cyclohexa-1,5-dien-1-ylimidazolidin-2-one

C9H12N2O — CID 134424207

IUPAC1-cyclohexa-1,5-dien-1-ylimidazolidin-2-one
SMILESO=C1NCCN1C1=CCCC=C1
InChIInChI=1S/C9H12N2O/c12-9-10-6-7-11(9)8-4-2-1-3-5-8/h2,4-5H,1,3,6-7H2,(H,10,12)
InChIKeyCLNQXBKECRIYRJ-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.25
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-ylimidazolidin-2-one

1-cyclohexa-1,5-dien-1-ylimidazolidin-2-one (PubChem CID 134424207) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-ylimidazolidin-2-one
PubChem CID134424207
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-cyclohexa-1,5-dien-1-ylimidazolidin-2-one
SMILESO=C1NCCN1C1=CCCC=C1
InChIInChI=1S/C9H12N2O/c12-9-10-6-7-11(9)8-4-2-1-3-5-8/h2,4-5H,1,3,6-7H2,(H,10,12)
InChIKeyCLNQXBKECRIYRJ-UHFFFAOYSA-N
XLogP1.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-ylimidazolidin-2-one?
The IUPAC name of 1-cyclohexa-1,5-dien-1-ylimidazolidin-2-one (CID 134424207) is 1-cyclohexa-1,5-dien-1-ylimidazolidin-2-one.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-ylimidazolidin-2-one?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-ylimidazolidin-2-one is O=C1NCCN1C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-ylimidazolidin-2-one?
The InChIKey is CLNQXBKECRIYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c12-9-10-6-7-11(9)8-4-2-1-3-5-8/h2,4-5H,1,3,6-7H2,(H,10,12).
What are the key properties of 1-cyclohexa-1,5-dien-1-ylimidazolidin-2-one?
1-cyclohexa-1,5-dien-1-ylimidazolidin-2-one has a molecular weight of 164.21 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-ylimidazolidin-2-one is sourced from PubChem (CID 134424207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).