3,8-diazabicyclo[4.2.0]octane-1-carboxamide

C7H13N3O — CID 123441292

IUPAC3,8-diazabicyclo[4.2.0]octane-1-carboxamide
SMILESNC(=O)C12CNCCC1CN2
InChIInChI=1S/C7H13N3O/c8-6(11)7-4-9-2-1-5(7)3-10-7/h5,9-10H,1-4H2,(H2,8,11)
InChIKeyDMFZCRCWBKPCKL-UHFFFAOYSA-N
MW155.20 g/mol
LogP-1.58
Rot. Bonds1

About 3,8-diazabicyclo[4.2.0]octane-1-carboxamide

3,8-diazabicyclo[4.2.0]octane-1-carboxamide (PubChem CID 123441292) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 3,8-diazabicyclo[4.2.0]octane-1-carboxamide.

Molecular Properties

Compound Name3,8-diazabicyclo[4.2.0]octane-1-carboxamide
PubChem CID123441292
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name3,8-diazabicyclo[4.2.0]octane-1-carboxamide
SMILESNC(=O)C12CNCCC1CN2
InChIInChI=1S/C7H13N3O/c8-6(11)7-4-9-2-1-5(7)3-10-7/h5,9-10H,1-4H2,(H2,8,11)
InChIKeyDMFZCRCWBKPCKL-UHFFFAOYSA-N
XLogP-1.58
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3,8-diazabicyclo[4.2.0]octane-1-carboxamide 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 3,8-diazabicyclo[4.2.0]octane-1-carboxamide?
The IUPAC name of 3,8-diazabicyclo[4.2.0]octane-1-carboxamide (CID 123441292) is 3,8-diazabicyclo[4.2.0]octane-1-carboxamide.
What is the SMILES notation for 3,8-diazabicyclo[4.2.0]octane-1-carboxamide?
The canonical SMILES for 3,8-diazabicyclo[4.2.0]octane-1-carboxamide is NC(=O)C12CNCCC1CN2.
What is the InChIKey of 3,8-diazabicyclo[4.2.0]octane-1-carboxamide?
The InChIKey is DMFZCRCWBKPCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c8-6(11)7-4-9-2-1-5(7)3-10-7/h5,9-10H,1-4H2,(H2,8,11).
What are the key properties of 3,8-diazabicyclo[4.2.0]octane-1-carboxamide?
3,8-diazabicyclo[4.2.0]octane-1-carboxamide has a molecular weight of 155.20 g/mol, XLogP of -1.58, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[4.2.0]octane-1-carboxamide is sourced from PubChem (CID 123441292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).