[(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea

C11H19N3O — CID 7380767

IUPAC[(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea
SMILESC[C@@H]1C/C(=N/NC(N)=O)[C@H]2C[C@H]1C2(C)C
InChIInChI=1S/C11H19N3O/c1-6-4-9(13-14-10(12)15)8-5-7(6)11(8,2)3/h6-8H,4-5H2,1-3H3,(H3,12,14,15)/b13-9-/t6-,7-,8-/m1/s1
InChIKeyUSMSEBRNTOAJAR-PLLLWNDMSA-N
MW209.29 g/mol
LogP1.71
Rot. Bonds1

About [(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea

[(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea (PubChem CID 7380767) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea
PubChem CID7380767
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea
SMILESC[C@@H]1C/C(=N/NC(N)=O)[C@H]2C[C@H]1C2(C)C
InChIInChI=1S/C11H19N3O/c1-6-4-9(13-14-10(12)15)8-5-7(6)11(8,2)3/h6-8H,4-5H2,1-3H3,(H3,12,14,15)/b13-9-/t6-,7-,8-/m1/s1
InChIKeyUSMSEBRNTOAJAR-PLLLWNDMSA-N
XLogP1.71
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 ≤ 51.71
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'}

Analyze [(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Tert-butylcyclohexanone semicarbazone
CID 3269978
[1-[1-(2-Methylpropyl)cyclohexyl]propan-2-ylideneamino]urea
CID 2802915
[(E)-1-(1-adamantyl)propan-2-ylideneamino]urea
CID 5950050
3,3,5-Trimethylcyclohexanone semicarbazone
CID 6181691
[1-(2-Bicyclo[2.2.2]octanyl)ethylideneamino]urea
CID 297179
[(Z)-1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea
CID 5713350
8-Methylspiro(2.5)octan-4-one semicarbazone
CID 5383509
[(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea
CID 5464923
[(E)-(1-methyl-2-norpinan-6-yl-ethylidene)amino]urea
CID 9571642
p-Menthan-3-one, semicarbazone
CID 5705137
[(E)-1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea
CID 9583270
[(5-Methyl-2-propan-2-ylcyclohexylidene)amino]urea
CID 597931

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea?
The IUPAC name of [(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea (CID 7380767) is [(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea.
What is the SMILES notation for [(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea?
The canonical SMILES for [(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea is C[C@@H]1C/C(=N/NC(N)=O)[C@H]2C[C@H]1C2(C)C.
What is the InChIKey of [(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea?
The InChIKey is USMSEBRNTOAJAR-PLLLWNDMSA-N. The full InChI is InChI=1S/C11H19N3O/c1-6-4-9(13-14-10(12)15)8-5-7(6)11(8,2)3/h6-8H,4-5H2,1-3H3,(H3,12,14,15)/b13-9-/t6-,7-,8-/m1/s1.
What are the key properties of [(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea?
[(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea has a molecular weight of 209.29 g/mol, XLogP of 1.71, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea is sourced from PubChem (CID 7380767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).