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

C10H17N3O — CID 23351879

IUPAC[(Z)-[(1S,5R)-2-bicyclo[3.3.1]nonanylidene]amino]urea
SMILESNC(=O)N/N=C1/CC[C@H]2CCC[C@H]1C2
InChIInChI=1S/C10H17N3O/c11-10(14)13-12-9-5-4-7-2-1-3-8(9)6-7/h7-8H,1-6H2,(H3,11,13,14)/b12-9-/t7-,8+/m1/s1
InChIKeyRGGLASWWZWZVPR-KDIKZDOFSA-N
MW195.27 g/mol
LogP1.61
Rot. Bonds1

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

[(Z)-[(1S,5R)-2-bicyclo[3.3.1]nonanylidene]amino]urea (PubChem CID 23351879) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [(Z)-[(1S,5R)-2-bicyclo[3.3.1]nonanylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[(1S,5R)-2-bicyclo[3.3.1]nonanylidene]amino]urea
PubChem CID23351879
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[(Z)-[(1S,5R)-2-bicyclo[3.3.1]nonanylidene]amino]urea
SMILESNC(=O)N/N=C1/CC[C@H]2CCC[C@H]1C2
InChIInChI=1S/C10H17N3O/c11-10(14)13-12-9-5-4-7-2-1-3-8(9)6-7/h7-8H,1-6H2,(H3,11,13,14)/b12-9-/t7-,8+/m1/s1
InChIKeyRGGLASWWZWZVPR-KDIKZDOFSA-N
XLogP1.61
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 ≤ 51.61
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 [(Z)-[(1S,5R)-2-bicyclo[3.3.1]nonanylidene]amino]urea?
The IUPAC name of [(Z)-[(1S,5R)-2-bicyclo[3.3.1]nonanylidene]amino]urea (CID 23351879) is [(Z)-[(1S,5R)-2-bicyclo[3.3.1]nonanylidene]amino]urea.
What is the SMILES notation for [(Z)-[(1S,5R)-2-bicyclo[3.3.1]nonanylidene]amino]urea?
The canonical SMILES for [(Z)-[(1S,5R)-2-bicyclo[3.3.1]nonanylidene]amino]urea is NC(=O)N/N=C1/CC[C@H]2CCC[C@H]1C2.
What is the InChIKey of [(Z)-[(1S,5R)-2-bicyclo[3.3.1]nonanylidene]amino]urea?
The InChIKey is RGGLASWWZWZVPR-KDIKZDOFSA-N. The full InChI is InChI=1S/C10H17N3O/c11-10(14)13-12-9-5-4-7-2-1-3-8(9)6-7/h7-8H,1-6H2,(H3,11,13,14)/b12-9-/t7-,8+/m1/s1.
What are the key properties of [(Z)-[(1S,5R)-2-bicyclo[3.3.1]nonanylidene]amino]urea?
[(Z)-[(1S,5R)-2-bicyclo[3.3.1]nonanylidene]amino]urea has a molecular weight of 195.27 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(1S,5R)-2-bicyclo[3.3.1]nonanylidene]amino]urea is sourced from PubChem (CID 23351879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).