cyclohexa-1,3-dien-1-ylurea

C7H10N2O — CID 23168128

IUPACcyclohexa-1,3-dien-1-ylurea
SMILESNC(=O)NC1=CC=CCC1
InChIInChI=1S/C7H10N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-2,4H,3,5H2,(H3,8,9,10)
InChIKeyODGMYUYXKYIAPS-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.89
Rot. Bonds1

About cyclohexa-1,3-dien-1-ylurea

cyclohexa-1,3-dien-1-ylurea (PubChem CID 23168128) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is cyclohexa-1,3-dien-1-ylurea.

Molecular Properties

Compound Namecyclohexa-1,3-dien-1-ylurea
PubChem CID23168128
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Namecyclohexa-1,3-dien-1-ylurea
SMILESNC(=O)NC1=CC=CCC1
InChIInChI=1S/C7H10N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-2,4H,3,5H2,(H3,8,9,10)
InChIKeyODGMYUYXKYIAPS-UHFFFAOYSA-N
XLogP0.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze cyclohexa-1,3-dien-1-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,3-dien-1-ylurea?
The IUPAC name of cyclohexa-1,3-dien-1-ylurea (CID 23168128) is cyclohexa-1,3-dien-1-ylurea.
What is the SMILES notation for cyclohexa-1,3-dien-1-ylurea?
The canonical SMILES for cyclohexa-1,3-dien-1-ylurea is NC(=O)NC1=CC=CCC1.
What is the InChIKey of cyclohexa-1,3-dien-1-ylurea?
The InChIKey is ODGMYUYXKYIAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c8-7(10)9-6-4-2-1-3-5-6/h1-2,4H,3,5H2,(H3,8,9,10).
What are the key properties of cyclohexa-1,3-dien-1-ylurea?
cyclohexa-1,3-dien-1-ylurea has a molecular weight of 138.17 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,3-dien-1-ylurea is sourced from PubChem (CID 23168128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).