[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]urea

C11H19N3O — CID 14039500

IUPAC[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]urea
SMILESCC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(N)=O)C2
InChIInChI=1S/C11H19N3O/c1-10(2)7-4-5-11(10,3)8(6-7)13-14-9(12)15/h7H,4-6H2,1-3H3,(H3,12,14,15)/b13-8+/t7-,11+/m0/s1
InChIKeyQCEFOIDJHJPYIB-SVCYXEAESA-N
MW209.29 g/mol
LogP1.86
Rot. Bonds1

About [(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]urea

[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]urea (PubChem CID 14039500) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]urea
PubChem CID14039500
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]urea
SMILESCC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(N)=O)C2
InChIInChI=1S/C11H19N3O/c1-10(2)7-4-5-11(10,3)8(6-7)13-14-9(12)15/h7H,4-6H2,1-3H3,(H3,12,14,15)/b13-8+/t7-,11+/m0/s1
InChIKeyQCEFOIDJHJPYIB-SVCYXEAESA-N
XLogP1.86
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 ≤ 51.86
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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Frequently Asked Questions

What is the IUPAC name of [(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]urea?
The IUPAC name of [(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]urea (CID 14039500) is [(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]urea.
What is the SMILES notation for [(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]urea?
The canonical SMILES for [(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]urea is CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(N)=O)C2.
What is the InChIKey of [(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]urea?
The InChIKey is QCEFOIDJHJPYIB-SVCYXEAESA-N. The full InChI is InChI=1S/C11H19N3O/c1-10(2)7-4-5-11(10,3)8(6-7)13-14-9(12)15/h7H,4-6H2,1-3H3,(H3,12,14,15)/b13-8+/t7-,11+/m0/s1.
What are the key properties of [(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]urea?
[(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]urea has a molecular weight of 209.29 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 [(E)-[(1S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]urea is sourced from PubChem (CID 14039500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).