1-cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one

C10H14N2O — CID 89276858

IUPAC1-cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one
SMILESCN1CCN(C2C=CC=CC2)C1=O
InChIInChI=1S/C10H14N2O/c1-11-7-8-12(10(11)13)9-5-3-2-4-6-9/h2-5,9H,6-8H2,1H3
InChIKeyQHCKUFVAEZTNAE-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.24
Rot. Bonds1

About 1-cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one

1-cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one (PubChem CID 89276858) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one
PubChem CID89276858
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one
SMILESCN1CCN(C2C=CC=CC2)C1=O
InChIInChI=1S/C10H14N2O/c1-11-7-8-12(10(11)13)9-5-3-2-4-6-9/h2-5,9H,6-8H2,1H3
InChIKeyQHCKUFVAEZTNAE-UHFFFAOYSA-N
XLogP1.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one (CID 89276858) is 1-cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one is CN1CCN(C2C=CC=CC2)C1=O.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one?
The InChIKey is QHCKUFVAEZTNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-11-7-8-12(10(11)13)9-5-3-2-4-6-9/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one?
1-cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one has a molecular weight of 178.24 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yl-3-methylimidazolidin-2-one is sourced from PubChem (CID 89276858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).