3-cyclohex-2-en-1-yl-1,1-dimethylurea

C9H16N2O — CID 15112130

IUPAC3-cyclohex-2-en-1-yl-1,1-dimethylurea
SMILESCN(C)C(=O)NC1C=CCCC1
InChIInChI=1S/C9H16N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h4,6,8H,3,5,7H2,1-2H3,(H,10,12)
InChIKeyZNXNAIYDFJJLAN-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.37
Rot. Bonds1

About 3-cyclohex-2-en-1-yl-1,1-dimethylurea

3-cyclohex-2-en-1-yl-1,1-dimethylurea (PubChem CID 15112130) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-yl-1,1-dimethylurea.

Molecular Properties

Compound Name3-cyclohex-2-en-1-yl-1,1-dimethylurea
PubChem CID15112130
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-cyclohex-2-en-1-yl-1,1-dimethylurea
SMILESCN(C)C(=O)NC1C=CCCC1
InChIInChI=1S/C9H16N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h4,6,8H,3,5,7H2,1-2H3,(H,10,12)
InChIKeyZNXNAIYDFJJLAN-UHFFFAOYSA-N
XLogP1.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohex-2-en-1-yl-1,1-dimethylurea?
The IUPAC name of 3-cyclohex-2-en-1-yl-1,1-dimethylurea (CID 15112130) is 3-cyclohex-2-en-1-yl-1,1-dimethylurea.
What is the SMILES notation for 3-cyclohex-2-en-1-yl-1,1-dimethylurea?
The canonical SMILES for 3-cyclohex-2-en-1-yl-1,1-dimethylurea is CN(C)C(=O)NC1C=CCCC1.
What is the InChIKey of 3-cyclohex-2-en-1-yl-1,1-dimethylurea?
The InChIKey is ZNXNAIYDFJJLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-11(2)9(12)10-8-6-4-3-5-7-8/h4,6,8H,3,5,7H2,1-2H3,(H,10,12).
What are the key properties of 3-cyclohex-2-en-1-yl-1,1-dimethylurea?
3-cyclohex-2-en-1-yl-1,1-dimethylurea has a molecular weight of 168.24 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-yl-1,1-dimethylurea is sourced from PubChem (CID 15112130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).