cycloocten-1-ylurea

C9H16N2O — CID 154107907

IUPACcycloocten-1-ylurea
SMILESNC(=O)NC1=CCCCCCC1
InChIInChI=1S/C9H16N2O/c10-9(12)11-8-6-4-2-1-3-5-7-8/h6H,1-5,7H2,(H3,10,11,12)
InChIKeyDMODXKKZWDTRIU-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.89
Rot. Bonds1

About cycloocten-1-ylurea

cycloocten-1-ylurea (PubChem CID 154107907) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is cycloocten-1-ylurea.

Molecular Properties

Compound Namecycloocten-1-ylurea
PubChem CID154107907
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Namecycloocten-1-ylurea
SMILESNC(=O)NC1=CCCCCCC1
InChIInChI=1S/C9H16N2O/c10-9(12)11-8-6-4-2-1-3-5-7-8/h6H,1-5,7H2,(H3,10,11,12)
InChIKeyDMODXKKZWDTRIU-UHFFFAOYSA-N
XLogP1.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cycloocten-1-ylurea?
The IUPAC name of cycloocten-1-ylurea (CID 154107907) is cycloocten-1-ylurea.
What is the SMILES notation for cycloocten-1-ylurea?
The canonical SMILES for cycloocten-1-ylurea is NC(=O)NC1=CCCCCCC1.
What is the InChIKey of cycloocten-1-ylurea?
The InChIKey is DMODXKKZWDTRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c10-9(12)11-8-6-4-2-1-3-5-7-8/h6H,1-5,7H2,(H3,10,11,12).
What are the key properties of cycloocten-1-ylurea?
cycloocten-1-ylurea has a molecular weight of 168.24 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cycloocten-1-ylurea is sourced from PubChem (CID 154107907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).