1-cyclohexyl-3-ethenyl-1-methylurea

C10H18N2O — CID 108909061

IUPAC1-cyclohexyl-3-ethenyl-1-methylurea
SMILESC=CNC(=O)N(C)C1CCCCC1
InChIInChI=1S/C10H18N2O/c1-3-11-10(13)12(2)9-7-5-4-6-8-9/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeyDQMLTQUQYDGWOT-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.10
Rot. Bonds2

About 1-cyclohexyl-3-ethenyl-1-methylurea

1-cyclohexyl-3-ethenyl-1-methylurea (PubChem CID 108909061) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-cyclohexyl-3-ethenyl-1-methylurea.

Molecular Properties

Compound Name1-cyclohexyl-3-ethenyl-1-methylurea
PubChem CID108909061
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-cyclohexyl-3-ethenyl-1-methylurea
SMILESC=CNC(=O)N(C)C1CCCCC1
InChIInChI=1S/C10H18N2O/c1-3-11-10(13)12(2)9-7-5-4-6-8-9/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeyDQMLTQUQYDGWOT-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-ethenyl-1-methylurea?
The IUPAC name of 1-cyclohexyl-3-ethenyl-1-methylurea (CID 108909061) is 1-cyclohexyl-3-ethenyl-1-methylurea.
What is the SMILES notation for 1-cyclohexyl-3-ethenyl-1-methylurea?
The canonical SMILES for 1-cyclohexyl-3-ethenyl-1-methylurea is C=CNC(=O)N(C)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-ethenyl-1-methylurea?
The InChIKey is DQMLTQUQYDGWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-11-10(13)12(2)9-7-5-4-6-8-9/h3,9H,1,4-8H2,2H3,(H,11,13).
What are the key properties of 1-cyclohexyl-3-ethenyl-1-methylurea?
1-cyclohexyl-3-ethenyl-1-methylurea has a molecular weight of 182.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-ethenyl-1-methylurea is sourced from PubChem (CID 108909061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).