[(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea

C14H23N3O — CID 98298557

IUPAC[(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea
SMILESCC(C)=C1[C@@H]2CCC[C@]1(C)CC/C2=N/NC(N)=O
InChIInChI=1S/C14H23N3O/c1-9(2)12-10-5-4-7-14(12,3)8-6-11(10)16-17-13(15)18/h10H,4-8H2,1-3H3,(H3,15,17,18)/b16-11-/t10-,14-/m1/s1
InChIKeyQLKTZKLGLHYCTD-UFGRBFIRSA-N
MW249.36 g/mol
LogP2.95
Rot. Bonds1

About [(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea

[(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea (PubChem CID 98298557) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is [(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea
PubChem CID98298557
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name[(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea
SMILESCC(C)=C1[C@@H]2CCC[C@]1(C)CC/C2=N/NC(N)=O
InChIInChI=1S/C14H23N3O/c1-9(2)12-10-5-4-7-14(12,3)8-6-11(10)16-17-13(15)18/h10H,4-8H2,1-3H3,(H3,15,17,18)/b16-11-/t10-,14-/m1/s1
InChIKeyQLKTZKLGLHYCTD-UFGRBFIRSA-N
XLogP2.95
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea with MolForge

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Related Compounds

[(E)-(5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene)amino]urea
CID 90482012
[(Z)-(2-methylcyclohexylidene)amino]urea
CID 5374162
[(Z)-(2-bromocyclohexylidene)amino]urea
CID 6294921
[(E)-[(1R,10R)-2-bicyclo[8.1.0]undecanylidene]amino]urea
CID 11896369
[(2-pyridin-2-ylcyclohexylidene)amino]urea
CID 5146946
[(E)-[(2R)-2-pyridin-2-ylcyclohexylidene]amino]urea
CID 98151079
[(E)-[(2R)-2-hexylcyclopentylidene]amino]urea
CID 7412207
[(E)-[(2S)-2-propylcyclohexylidene]amino]urea
CID 98548381
[(E)-(2-propylcyclohexylidene)amino]urea
CID 5385427
[(Z)-[2-(2-methylpropyl)cyclohexylidene]amino]urea
CID 16638260
[(Z)-(3-methylcyclooctylidene)amino]urea
CID 90482071
[(Z)-[(1S,5R)-2-bicyclo[3.3.1]nonanylidene]amino]urea
CID 23351879

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea?
The IUPAC name of [(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea (CID 98298557) is [(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea.
What is the SMILES notation for [(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea?
The canonical SMILES for [(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea is CC(C)=C1[C@@H]2CCC[C@]1(C)CC/C2=N/NC(N)=O.
What is the InChIKey of [(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea?
The InChIKey is QLKTZKLGLHYCTD-UFGRBFIRSA-N. The full InChI is InChI=1S/C14H23N3O/c1-9(2)12-10-5-4-7-14(12,3)8-6-11(10)16-17-13(15)18/h10H,4-8H2,1-3H3,(H3,15,17,18)/b16-11-/t10-,14-/m1/s1.
What are the key properties of [(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea?
[(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea has a molecular weight of 249.36 g/mol, XLogP of 2.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(1S,5R)-5-methyl-9-propan-2-ylidene-2-bicyclo[3.3.1]nonanylidene]amino]urea is sourced from PubChem (CID 98298557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).