3,8-diazabicyclo[3.2.1]octane-3-carboxamide

C7H13N3O — CID 66875179

IUPAC3,8-diazabicyclo[3.2.1]octane-3-carboxamide
SMILESNC(=O)N1CC2CCC(C1)N2
InChIInChI=1S/C7H13N3O/c8-7(11)10-3-5-1-2-6(4-10)9-5/h5-6,9H,1-4H2,(H2,8,11)
InChIKeyPYCUFTGMGPJZRK-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.50
Rot. Bonds

About 3,8-diazabicyclo[3.2.1]octane-3-carboxamide

3,8-diazabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 66875179) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 3,8-diazabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name3,8-diazabicyclo[3.2.1]octane-3-carboxamide
PubChem CID66875179
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name3,8-diazabicyclo[3.2.1]octane-3-carboxamide
SMILESNC(=O)N1CC2CCC(C1)N2
InChIInChI=1S/C7H13N3O/c8-7(11)10-3-5-1-2-6(4-10)9-5/h5-6,9H,1-4H2,(H2,8,11)
InChIKeyPYCUFTGMGPJZRK-UHFFFAOYSA-N
XLogP-0.50
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,8-diazabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of 3,8-diazabicyclo[3.2.1]octane-3-carboxamide (CID 66875179) is 3,8-diazabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for 3,8-diazabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for 3,8-diazabicyclo[3.2.1]octane-3-carboxamide is NC(=O)N1CC2CCC(C1)N2.
What is the InChIKey of 3,8-diazabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is PYCUFTGMGPJZRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c8-7(11)10-3-5-1-2-6(4-10)9-5/h5-6,9H,1-4H2,(H2,8,11).
What are the key properties of 3,8-diazabicyclo[3.2.1]octane-3-carboxamide?
3,8-diazabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 155.20 g/mol, XLogP of -0.50, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diazabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 66875179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).