[(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea

C11H19N3O — CID 101276927

IUPAC[(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea
SMILESCC(C)=C1CC[C@@H](C)C/C1=N/NC(N)=O
InChIInChI=1S/C11H19N3O/c1-7(2)9-5-4-8(3)6-10(9)13-14-11(12)15/h8H,4-6H2,1-3H3,(H3,12,14,15)/b13-10-/t8-/m1/s1
InChIKeyNCGSIQUNMGXNAI-ZGFGWORNSA-N
MW209.29 g/mol
LogP2.17
Rot. Bonds1

About [(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea

[(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea (PubChem CID 101276927) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea
PubChem CID101276927
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea
SMILESCC(C)=C1CC[C@@H](C)C/C1=N/NC(N)=O
InChIInChI=1S/C11H19N3O/c1-7(2)9-5-4-8(3)6-10(9)13-14-11(12)15/h8H,4-6H2,1-3H3,(H3,12,14,15)/b13-10-/t8-/m1/s1
InChIKeyNCGSIQUNMGXNAI-ZGFGWORNSA-N
XLogP2.17
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea?
The IUPAC name of [(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea (CID 101276927) is [(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea.
What is the SMILES notation for [(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea?
The canonical SMILES for [(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea is CC(C)=C1CC[C@@H](C)C/C1=N/NC(N)=O.
What is the InChIKey of [(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea?
The InChIKey is NCGSIQUNMGXNAI-ZGFGWORNSA-N. The full InChI is InChI=1S/C11H19N3O/c1-7(2)9-5-4-8(3)6-10(9)13-14-11(12)15/h8H,4-6H2,1-3H3,(H3,12,14,15)/b13-10-/t8-/m1/s1.
What are the key properties of [(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea?
[(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea has a molecular weight of 209.29 g/mol, XLogP of 2.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(5R)-5-methyl-2-propan-2-ylidenecyclohexylidene]amino]urea is sourced from PubChem (CID 101276927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).