[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea

C8H14N2O — CID 98511353

IUPAC[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
SMILESNC(=O)N[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C8H14N2O/c9-8(11)10-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H3,9,10,11)/t5-,6-,7-/m0/s1
InChIKeyXUFVQYYHZUXUKV-ACZMJKKPSA-N
MW154.21 g/mol
LogP0.84
Rot. Bonds1

About [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea

[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea (PubChem CID 98511353) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea.

Molecular Properties

Compound Name[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
PubChem CID98511353
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea
SMILESNC(=O)N[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C8H14N2O/c9-8(11)10-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H3,9,10,11)/t5-,6-,7-/m0/s1
InChIKeyXUFVQYYHZUXUKV-ACZMJKKPSA-N
XLogP0.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,3-N,5-N-tris(2-bicyclo[2.2.1]heptanyl)cyclohexane-1,3,5-tricarboxamide
CID 171722556
3-(2-bicyclo[2.2.1]heptanylamino)propanamide
CID 61309343
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-chloroacetamide
CID 14619230
N-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]propanamide
CID 98230994
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2,2-dimethylpropanamide
CID 98231847
2-amino-N-(2-bicyclo[2.2.1]heptanyl)butanediamide;hydrochloride
CID 119957470
(2R)-2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3-methylbutanamide
CID 79012677
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]cyclohexanecarboxamide
CID 124786150
N-(2-bicyclo[2.2.1]heptanyl)-2-bromo-2-methylpropanamide
CID 114328764
N-(2-bicyclo[2.2.1]heptanyl)-1-cyanocyclopropane-1-carboxamide
CID 80592450
2-amino-N-(2-bicyclo[2.2.1]heptanyl)-3,3-dimethylbutanamide
CID 77045509
3-amino-N-(2-bicyclo[2.2.1]heptanyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119790629

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea?
The IUPAC name of [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea (CID 98511353) is [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea.
What is the SMILES notation for [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea?
The canonical SMILES for [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea is NC(=O)N[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea?
The InChIKey is XUFVQYYHZUXUKV-ACZMJKKPSA-N. The full InChI is InChI=1S/C8H14N2O/c9-8(11)10-7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H3,9,10,11)/t5-,6-,7-/m0/s1.
What are the key properties of [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea?
[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea has a molecular weight of 154.21 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]urea is sourced from PubChem (CID 98511353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).