cyclohexen-1-ylmethylurea

C8H14N2O — CID 22754327

IUPACcyclohexen-1-ylmethylurea
SMILESNC(=O)NCC1=CCCCC1
InChIInChI=1S/C8H14N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H3,9,10,11)
InChIKeyKTDHCDXQDLWXGA-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.16
Rot. Bonds2

About cyclohexen-1-ylmethylurea

cyclohexen-1-ylmethylurea (PubChem CID 22754327) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is cyclohexen-1-ylmethylurea.

Molecular Properties

Compound Namecyclohexen-1-ylmethylurea
PubChem CID22754327
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Namecyclohexen-1-ylmethylurea
SMILESNC(=O)NCC1=CCCCC1
InChIInChI=1S/C8H14N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H3,9,10,11)
InChIKeyKTDHCDXQDLWXGA-UHFFFAOYSA-N
XLogP1.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.16
H-Bond Donors ≤ 52
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 cyclohexen-1-ylmethylurea?
The IUPAC name of cyclohexen-1-ylmethylurea (CID 22754327) is cyclohexen-1-ylmethylurea.
What is the SMILES notation for cyclohexen-1-ylmethylurea?
The canonical SMILES for cyclohexen-1-ylmethylurea is NC(=O)NCC1=CCCCC1.
What is the InChIKey of cyclohexen-1-ylmethylurea?
The InChIKey is KTDHCDXQDLWXGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c9-8(11)10-6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H3,9,10,11).
What are the key properties of cyclohexen-1-ylmethylurea?
cyclohexen-1-ylmethylurea has a molecular weight of 154.21 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexen-1-ylmethylurea is sourced from PubChem (CID 22754327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).