2-(cyclohexen-1-yl)ethylurea

C9H16N2O — CID 3748082

IUPAC2-(cyclohexen-1-yl)ethylurea
SMILESNC(=O)NCCC1=CCCCC1
InChIInChI=1S/C9H16N2O/c10-9(12)11-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2,(H3,10,11,12)
InChIKeyAVRXEHITALYOTM-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.55
Rot. Bonds3

About 2-(cyclohexen-1-yl)ethylurea

2-(cyclohexen-1-yl)ethylurea (PubChem CID 3748082) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)ethylurea.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)ethylurea
PubChem CID3748082
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name2-(cyclohexen-1-yl)ethylurea
SMILESNC(=O)NCCC1=CCCCC1
InChIInChI=1S/C9H16N2O/c10-9(12)11-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2,(H3,10,11,12)
InChIKeyAVRXEHITALYOTM-UHFFFAOYSA-N
XLogP1.55
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.55
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 2-(cyclohexen-1-yl)ethylurea?
The IUPAC name of 2-(cyclohexen-1-yl)ethylurea (CID 3748082) is 2-(cyclohexen-1-yl)ethylurea.
What is the SMILES notation for 2-(cyclohexen-1-yl)ethylurea?
The canonical SMILES for 2-(cyclohexen-1-yl)ethylurea is NC(=O)NCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)ethylurea?
The InChIKey is AVRXEHITALYOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c10-9(12)11-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2,(H3,10,11,12).
What are the key properties of 2-(cyclohexen-1-yl)ethylurea?
2-(cyclohexen-1-yl)ethylurea has a molecular weight of 168.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)ethylurea is sourced from PubChem (CID 3748082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).