3-(cyclohexen-1-ylmethyl)-1,1-dimethylurea

C10H18N2O — CID 15112131

IUPAC3-(cyclohexen-1-ylmethyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1=CCCCC1
InChIInChI=1S/C10H18N2O/c1-12(2)10(13)11-8-9-6-4-3-5-7-9/h6H,3-5,7-8H2,1-2H3,(H,11,13)
InChIKeyTWMLMRNNXSZWQO-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.76
Rot. Bonds2

About 3-(cyclohexen-1-ylmethyl)-1,1-dimethylurea

3-(cyclohexen-1-ylmethyl)-1,1-dimethylurea (PubChem CID 15112131) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 3-(cyclohexen-1-ylmethyl)-1,1-dimethylurea.

Molecular Properties

Compound Name3-(cyclohexen-1-ylmethyl)-1,1-dimethylurea
PubChem CID15112131
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name3-(cyclohexen-1-ylmethyl)-1,1-dimethylurea
SMILESCN(C)C(=O)NCC1=CCCCC1
InChIInChI=1S/C10H18N2O/c1-12(2)10(13)11-8-9-6-4-3-5-7-9/h6H,3-5,7-8H2,1-2H3,(H,11,13)
InChIKeyTWMLMRNNXSZWQO-UHFFFAOYSA-N
XLogP1.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.76
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-(cyclohexen-1-ylmethyl)-1,1-dimethylurea?
The IUPAC name of 3-(cyclohexen-1-ylmethyl)-1,1-dimethylurea (CID 15112131) is 3-(cyclohexen-1-ylmethyl)-1,1-dimethylurea.
What is the SMILES notation for 3-(cyclohexen-1-ylmethyl)-1,1-dimethylurea?
The canonical SMILES for 3-(cyclohexen-1-ylmethyl)-1,1-dimethylurea is CN(C)C(=O)NCC1=CCCCC1.
What is the InChIKey of 3-(cyclohexen-1-ylmethyl)-1,1-dimethylurea?
The InChIKey is TWMLMRNNXSZWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-12(2)10(13)11-8-9-6-4-3-5-7-9/h6H,3-5,7-8H2,1-2H3,(H,11,13).
What are the key properties of 3-(cyclohexen-1-ylmethyl)-1,1-dimethylurea?
3-(cyclohexen-1-ylmethyl)-1,1-dimethylurea has a molecular weight of 182.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexen-1-ylmethyl)-1,1-dimethylurea is sourced from PubChem (CID 15112131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).