1-azabicyclo[2.2.1]heptan-4-ylmethylurea

C8H15N3O — CID 170615784

IUPAC1-azabicyclo[2.2.1]heptan-4-ylmethylurea
SMILESNC(=O)NCC12CCN(CC1)C2
InChIInChI=1S/C8H15N3O/c9-7(12)10-5-8-1-3-11(6-8)4-2-8/h1-6H2,(H3,9,10,12)
InChIKeyBKRUSLQCWKDRCC-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.25
Rot. Bonds2

About 1-azabicyclo[2.2.1]heptan-4-ylmethylurea

1-azabicyclo[2.2.1]heptan-4-ylmethylurea (PubChem CID 170615784) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-azabicyclo[2.2.1]heptan-4-ylmethylurea.

Molecular Properties

Compound Name1-azabicyclo[2.2.1]heptan-4-ylmethylurea
PubChem CID170615784
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-azabicyclo[2.2.1]heptan-4-ylmethylurea
SMILESNC(=O)NCC12CCN(CC1)C2
InChIInChI=1S/C8H15N3O/c9-7(12)10-5-8-1-3-11(6-8)4-2-8/h1-6H2,(H3,9,10,12)
InChIKeyBKRUSLQCWKDRCC-UHFFFAOYSA-N
XLogP-0.25
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-azabicyclo[2.2.1]heptan-4-ylmethylurea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.2.1]heptan-4-ylmethylurea?
The IUPAC name of 1-azabicyclo[2.2.1]heptan-4-ylmethylurea (CID 170615784) is 1-azabicyclo[2.2.1]heptan-4-ylmethylurea.
What is the SMILES notation for 1-azabicyclo[2.2.1]heptan-4-ylmethylurea?
The canonical SMILES for 1-azabicyclo[2.2.1]heptan-4-ylmethylurea is NC(=O)NCC12CCN(CC1)C2.
What is the InChIKey of 1-azabicyclo[2.2.1]heptan-4-ylmethylurea?
The InChIKey is BKRUSLQCWKDRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c9-7(12)10-5-8-1-3-11(6-8)4-2-8/h1-6H2,(H3,9,10,12).
What are the key properties of 1-azabicyclo[2.2.1]heptan-4-ylmethylurea?
1-azabicyclo[2.2.1]heptan-4-ylmethylurea has a molecular weight of 169.23 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.2.1]heptan-4-ylmethylurea is sourced from PubChem (CID 170615784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).