1-phenyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea

C17H23N3O — CID 6296101

IUPAC1-phenyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea
SMILESCC12CCC(C/C1=N/NC(=O)Nc1ccccc1)C2(C)C
InChIInChI=1S/C17H23N3O/c1-16(2)12-9-10-17(16,3)14(11-12)19-20-15(21)18-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H2,18,20,21)/b19-14-
InChIKeyFUKUOHMBJCBCQJ-RGEXLXHISA-N
MW285.39 g/mol
LogP4.01
Rot. Bonds2

About 1-phenyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea

1-phenyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea (PubChem CID 6296101) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-phenyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea.

Molecular Properties

Compound Name1-phenyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea
PubChem CID6296101
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-phenyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea
SMILESCC12CCC(C/C1=N/NC(=O)Nc1ccccc1)C2(C)C
InChIInChI=1S/C17H23N3O/c1-16(2)12-9-10-17(16,3)14(11-12)19-20-15(21)18-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H2,18,20,21)/b19-14-
InChIKeyFUKUOHMBJCBCQJ-RGEXLXHISA-N
XLogP4.01
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.01
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 1-phenyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea?
The IUPAC name of 1-phenyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea (CID 6296101) is 1-phenyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea.
What is the SMILES notation for 1-phenyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea?
The canonical SMILES for 1-phenyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea is CC12CCC(C/C1=N/NC(=O)Nc1ccccc1)C2(C)C.
What is the InChIKey of 1-phenyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea?
The InChIKey is FUKUOHMBJCBCQJ-RGEXLXHISA-N. The full InChI is InChI=1S/C17H23N3O/c1-16(2)12-9-10-17(16,3)14(11-12)19-20-15(21)18-13-7-5-4-6-8-13/h4-8,12H,9-11H2,1-3H3,(H2,18,20,21)/b19-14-.
What are the key properties of 1-phenyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea?
1-phenyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea has a molecular weight of 285.39 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[(Z)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]urea is sourced from PubChem (CID 6296101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).