1-cyclooctyl-1-methylurea

C10H20N2O — CID 126989312

IUPAC1-cyclooctyl-1-methylurea
SMILESCN(C(N)=O)C1CCCCCCC1
InChIInChI=1S/C10H20N2O/c1-12(10(11)13)9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3,(H2,11,13)
InChIKeyVPOPHIDJTYKWBH-UHFFFAOYSA-N
MW184.28 g/mol
LogP2.11
Rot. Bonds1

About 1-cyclooctyl-1-methylurea

1-cyclooctyl-1-methylurea (PubChem CID 126989312) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-cyclooctyl-1-methylurea.

Molecular Properties

Compound Name1-cyclooctyl-1-methylurea
PubChem CID126989312
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-cyclooctyl-1-methylurea
SMILESCN(C(N)=O)C1CCCCCCC1
InChIInChI=1S/C10H20N2O/c1-12(10(11)13)9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3,(H2,11,13)
InChIKeyVPOPHIDJTYKWBH-UHFFFAOYSA-N
XLogP2.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclooctyl-1-methylurea?
The IUPAC name of 1-cyclooctyl-1-methylurea (CID 126989312) is 1-cyclooctyl-1-methylurea.
What is the SMILES notation for 1-cyclooctyl-1-methylurea?
The canonical SMILES for 1-cyclooctyl-1-methylurea is CN(C(N)=O)C1CCCCCCC1.
What is the InChIKey of 1-cyclooctyl-1-methylurea?
The InChIKey is VPOPHIDJTYKWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-12(10(11)13)9-7-5-3-2-4-6-8-9/h9H,2-8H2,1H3,(H2,11,13).
What are the key properties of 1-cyclooctyl-1-methylurea?
1-cyclooctyl-1-methylurea has a molecular weight of 184.28 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooctyl-1-methylurea is sourced from PubChem (CID 126989312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).