1-ethyl-3-(4-methylidenecyclohexyl)urea

C10H18N2O — CID 90782168

IUPAC1-ethyl-3-(4-methylidenecyclohexyl)urea
SMILESC=C1CCC(NC(=O)NCC)CC1
InChIInChI=1S/C10H18N2O/c1-3-11-10(13)12-9-6-4-8(2)5-7-9/h9H,2-7H2,1H3,(H2,11,12,13)
InChIKeyAICCGRKDDWVGBZ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.80
Rot. Bonds2

About 1-ethyl-3-(4-methylidenecyclohexyl)urea

1-ethyl-3-(4-methylidenecyclohexyl)urea (PubChem CID 90782168) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-ethyl-3-(4-methylidenecyclohexyl)urea.

Molecular Properties

Compound Name1-ethyl-3-(4-methylidenecyclohexyl)urea
PubChem CID90782168
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-ethyl-3-(4-methylidenecyclohexyl)urea
SMILESC=C1CCC(NC(=O)NCC)CC1
InChIInChI=1S/C10H18N2O/c1-3-11-10(13)12-9-6-4-8(2)5-7-9/h9H,2-7H2,1H3,(H2,11,12,13)
InChIKeyAICCGRKDDWVGBZ-UHFFFAOYSA-N
XLogP1.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.80
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 1-ethyl-3-(4-methylidenecyclohexyl)urea?
The IUPAC name of 1-ethyl-3-(4-methylidenecyclohexyl)urea (CID 90782168) is 1-ethyl-3-(4-methylidenecyclohexyl)urea.
What is the SMILES notation for 1-ethyl-3-(4-methylidenecyclohexyl)urea?
The canonical SMILES for 1-ethyl-3-(4-methylidenecyclohexyl)urea is C=C1CCC(NC(=O)NCC)CC1.
What is the InChIKey of 1-ethyl-3-(4-methylidenecyclohexyl)urea?
The InChIKey is AICCGRKDDWVGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-11-10(13)12-9-6-4-8(2)5-7-9/h9H,2-7H2,1H3,(H2,11,12,13).
What are the key properties of 1-ethyl-3-(4-methylidenecyclohexyl)urea?
1-ethyl-3-(4-methylidenecyclohexyl)urea has a molecular weight of 182.27 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(4-methylidenecyclohexyl)urea is sourced from PubChem (CID 90782168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).