[(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea

C12H19N3O — CID 5464923

IUPAC[(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea
SMILESCC12CC/C(=N/NC(N)=O)C3C1CCCC32
InChIInChI=1S/C12H19N3O/c1-12-6-5-9(14-15-11(13)16)10-7(12)3-2-4-8(10)12/h7-8,10H,2-6H2,1H3,(H3,13,15,16)/b14-9-
InChIKeyWMRCJJSQPCMZJI-ZROIWOOFSA-N
MW221.30 g/mol
LogP1.86
Rot. Bonds1

About [(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea

[(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea (PubChem CID 5464923) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea.

Molecular Properties

Compound Name[(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea
PubChem CID5464923
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea
SMILESCC12CC/C(=N/NC(N)=O)C3C1CCCC32
InChIInChI=1S/C12H19N3O/c1-12-6-5-9(14-15-11(13)16)10-7(12)3-2-4-8(10)12/h7-8,10H,2-6H2,1H3,(H3,13,15,16)/b14-9-
InChIKeyWMRCJJSQPCMZJI-ZROIWOOFSA-N
XLogP1.86
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.86
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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Related Compounds

[(E)-1-(1-adamantyl)propan-2-ylideneamino]urea
CID 5950050
1-(2-Adamantylidene)semicarbazide
CID 541478
[1-(2-Bicyclo[2.2.2]octanyl)ethylideneamino]urea
CID 297179
[(E)-(1-methyl-2-norpinan-6-yl-ethylidene)amino]urea
CID 9571642
2-(1-Methyl-2-tricyclo[3.3.1.13,7]dec-1-ylethylidene)hydrazinecarboxamide
CID 3895439
6-Methyltricyclo[4.4.0.0~2,7~]decan-3-one semicarbazone
CID 5387503
[(E)-(4a-methyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-ylidene)amino]urea
CID 5795056
[(Z)-1-(2-bicyclo[2.2.2]octanyl)ethylideneamino]urea
CID 6158419
[(E)-[(4aS,8aR)-8a-butyl-1,3,4,4a,5,6,7,8-octahydronaphthalen-2-ylidene]amino]urea
CID 9552115
[(4a-Methyl-1,3,4,5,6,7,8,8a-octahydronaphthalen-2-ylidene)amino]urea
CID 283656
[(6-Methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea
CID 361333
[1-(6-Bicyclo[3.1.1]heptanyl)propan-2-ylideneamino]urea
CID 392961

Frequently Asked Questions

What is the IUPAC name of [(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea?
The IUPAC name of [(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea (CID 5464923) is [(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea.
What is the SMILES notation for [(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea?
The canonical SMILES for [(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea is CC12CC/C(=N/NC(N)=O)C3C1CCCC32.
What is the InChIKey of [(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea?
The InChIKey is WMRCJJSQPCMZJI-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12-6-5-9(14-15-11(13)16)10-7(12)3-2-4-8(10)12/h7-8,10H,2-6H2,1H3,(H3,13,15,16)/b14-9-.
What are the key properties of [(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea?
[(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea has a molecular weight of 221.30 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(6-methyl-3-tricyclo[4.4.0.02,7]decanylidene)amino]urea is sourced from PubChem (CID 5464923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).