[(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea

C10H17N3O — CID 6284943

IUPAC[(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea
SMILESCC1(C)/C(=N\NC(N)=O)C2CCC1C2
InChIInChI=1S/C10H17N3O/c1-10(2)7-4-3-6(5-7)8(10)12-13-9(11)14/h6-7H,3-5H2,1-2H3,(H3,11,13,14)/b12-8-
InChIKeyJIXUDARVWQCSOK-WQLSENKSSA-N
MW195.27 g/mol
LogP1.47
Rot. Bonds1

About [(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea

[(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea (PubChem CID 6284943) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea.

Molecular Properties

Compound Name[(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea
PubChem CID6284943
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea
SMILESCC1(C)/C(=N\NC(N)=O)C2CCC1C2
InChIInChI=1S/C10H17N3O/c1-10(2)7-4-3-6(5-7)8(10)12-13-9(11)14/h6-7H,3-5H2,1-2H3,(H3,11,13,14)/b12-8-
InChIKeyJIXUDARVWQCSOK-WQLSENKSSA-N
XLogP1.47
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.47
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

Hydrazinecarboxamide, 2-(1,7,7-trimethylbicyclo[2.2.1]hept-2-ylidene)-
CID 9556170
4-Tert-butylcyclohexanone semicarbazone
CID 3269978
(2E)-2-[2-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)ethylidene]hydrazinecarboxamide
CID 9635155
[(E)-(5,5,6-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]thiourea
CID 5363156
({1,7,7-Trimethylbicyclo[2.2.1]heptan-2-ylidene}amino)urea
CID 382566
8-Methylspiro(2.5)octan-4-one semicarbazone
CID 5383509
hydrazinecarboxamide, 1R-(+)-1,7,7-trimethylbicyclo[2.2.1]hept-2-ylene-
CID 9618202
[(Z)-5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ylideneamino]urea
CID 5332169
2-(1,7,7-Trimethylbicyclo[2.2.1]hept-2-yliden)-1-hydrazinecarboxamide
CID 5362684
[(Z)-(4-methylspiro[2.5]octan-8-ylidene)amino]urea
CID 5464797
[(Z)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea
CID 5465872
[(E)-2-tricyclo[3.3.1.03,7]nonanylideneamino]urea
CID 5468238

Frequently Asked Questions

What is the IUPAC name of [(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea?
The IUPAC name of [(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea (CID 6284943) is [(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea.
What is the SMILES notation for [(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea?
The canonical SMILES for [(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea is CC1(C)/C(=N\NC(N)=O)C2CCC1C2.
What is the InChIKey of [(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea?
The InChIKey is JIXUDARVWQCSOK-WQLSENKSSA-N. The full InChI is InChI=1S/C10H17N3O/c1-10(2)7-4-3-6(5-7)8(10)12-13-9(11)14/h6-7H,3-5H2,1-2H3,(H3,11,13,14)/b12-8-.
What are the key properties of [(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea?
[(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea has a molecular weight of 195.27 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea is sourced from PubChem (CID 6284943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).