(2-bicyclo[2.2.2]octanylmethylideneamino)urea

C10H17N3O — CID 165355280

IUPAC(2-bicyclo[2.2.2]octanylmethylideneamino)urea
SMILESNC(=O)NN=CC1CC2CCC1CC2
InChIInChI=1S/C10H17N3O/c11-10(14)13-12-6-9-5-7-1-3-8(9)4-2-7/h6-9H,1-5H2,(H3,11,13,14)
InChIKeyFJTJBRBHPZPVQC-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.47
Rot. Bonds2

About (2-bicyclo[2.2.2]octanylmethylideneamino)urea

(2-bicyclo[2.2.2]octanylmethylideneamino)urea (PubChem CID 165355280) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is (2-bicyclo[2.2.2]octanylmethylideneamino)urea.

Molecular Properties

Compound Name(2-bicyclo[2.2.2]octanylmethylideneamino)urea
PubChem CID165355280
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name(2-bicyclo[2.2.2]octanylmethylideneamino)urea
SMILESNC(=O)NN=CC1CC2CCC1CC2
InChIInChI=1S/C10H17N3O/c11-10(14)13-12-6-9-5-7-1-3-8(9)4-2-7/h6-9H,1-5H2,(H3,11,13,14)
InChIKeyFJTJBRBHPZPVQC-UHFFFAOYSA-N
XLogP1.47
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of (2-bicyclo[2.2.2]octanylmethylideneamino)urea?
The IUPAC name of (2-bicyclo[2.2.2]octanylmethylideneamino)urea (CID 165355280) is (2-bicyclo[2.2.2]octanylmethylideneamino)urea.
What is the SMILES notation for (2-bicyclo[2.2.2]octanylmethylideneamino)urea?
The canonical SMILES for (2-bicyclo[2.2.2]octanylmethylideneamino)urea is NC(=O)NN=CC1CC2CCC1CC2.
What is the InChIKey of (2-bicyclo[2.2.2]octanylmethylideneamino)urea?
The InChIKey is FJTJBRBHPZPVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-10(14)13-12-6-9-5-7-1-3-8(9)4-2-7/h6-9H,1-5H2,(H3,11,13,14).
What are the key properties of (2-bicyclo[2.2.2]octanylmethylideneamino)urea?
(2-bicyclo[2.2.2]octanylmethylideneamino)urea has a molecular weight of 195.27 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bicyclo[2.2.2]octanylmethylideneamino)urea is sourced from PubChem (CID 165355280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).