1-methyl-3-(3-methylidenecyclohexyl)urea

C9H16N2O — CID 90787997

IUPAC1-methyl-3-(3-methylidenecyclohexyl)urea
SMILESC=C1CCCC(NC(=O)NC)C1
InChIInChI=1S/C9H16N2O/c1-7-4-3-5-8(6-7)11-9(12)10-2/h8H,1,3-6H2,2H3,(H2,10,11,12)
InChIKeyXOKVLMNWLHKNQH-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.41
Rot. Bonds1

About 1-methyl-3-(3-methylidenecyclohexyl)urea

1-methyl-3-(3-methylidenecyclohexyl)urea (PubChem CID 90787997) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-methyl-3-(3-methylidenecyclohexyl)urea.

Molecular Properties

Compound Name1-methyl-3-(3-methylidenecyclohexyl)urea
PubChem CID90787997
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-methyl-3-(3-methylidenecyclohexyl)urea
SMILESC=C1CCCC(NC(=O)NC)C1
InChIInChI=1S/C9H16N2O/c1-7-4-3-5-8(6-7)11-9(12)10-2/h8H,1,3-6H2,2H3,(H2,10,11,12)
InChIKeyXOKVLMNWLHKNQH-UHFFFAOYSA-N
XLogP1.41
TPSA41.13 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 ≤ 51.41
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-methyl-3-(3-methylidenecyclohexyl)urea?
The IUPAC name of 1-methyl-3-(3-methylidenecyclohexyl)urea (CID 90787997) is 1-methyl-3-(3-methylidenecyclohexyl)urea.
What is the SMILES notation for 1-methyl-3-(3-methylidenecyclohexyl)urea?
The canonical SMILES for 1-methyl-3-(3-methylidenecyclohexyl)urea is C=C1CCCC(NC(=O)NC)C1.
What is the InChIKey of 1-methyl-3-(3-methylidenecyclohexyl)urea?
The InChIKey is XOKVLMNWLHKNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7-4-3-5-8(6-7)11-9(12)10-2/h8H,1,3-6H2,2H3,(H2,10,11,12).
What are the key properties of 1-methyl-3-(3-methylidenecyclohexyl)urea?
1-methyl-3-(3-methylidenecyclohexyl)urea has a molecular weight of 168.24 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylidenecyclohexyl)urea is sourced from PubChem (CID 90787997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).