1-azabicyclo[3.2.1]octane-3-carboxamide

C8H14N2O — CID 45084388

IUPAC1-azabicyclo[3.2.1]octane-3-carboxamide
SMILESNC(=O)C1CC2CCN(C2)C1
InChIInChI=1S/C8H14N2O/c9-8(11)7-3-6-1-2-10(4-6)5-7/h6-7H,1-5H2,(H2,9,11)
InChIKeyWWTIZSRMRDUZFA-UHFFFAOYSA-N
MW154.21 g/mol
LogP-0.19
Rot. Bonds1

About 1-azabicyclo[3.2.1]octane-3-carboxamide

1-azabicyclo[3.2.1]octane-3-carboxamide (PubChem CID 45084388) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-azabicyclo[3.2.1]octane-3-carboxamide.

Molecular Properties

Compound Name1-azabicyclo[3.2.1]octane-3-carboxamide
PubChem CID45084388
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-azabicyclo[3.2.1]octane-3-carboxamide
SMILESNC(=O)C1CC2CCN(C2)C1
InChIInChI=1S/C8H14N2O/c9-8(11)7-3-6-1-2-10(4-6)5-7/h6-7H,1-5H2,(H2,9,11)
InChIKeyWWTIZSRMRDUZFA-UHFFFAOYSA-N
XLogP-0.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-azabicyclo[4.3.1]decane-8-carboxylic acid
CID 19848697
(3S)-1-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 130631700
(3R)-1-azabicyclo[3.2.1]octan-3-amine
CID 154092746
(2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-2-carboxamide
CID 95240709
(3R)-1-iodopyrrolidine-3-carboxamide
CID 144745483
1-azabicyclo[3.2.1]octane;oxalic acid
CID 22917774
bicyclo[3.2.0]heptane-3-carboxamide
CID 53431016
1-but-2-enoylpiperidine-4-carboxamide
CID 78907164
(4-carbamoylpiperidin-1-yl)-methylborinic acid
CID 23553295
CID 88930738
CID 88930738
1-methanidylpiperidine-3-carboxamide
CID 23545608
cyclohexane;cyclohexane-1,4-dicarboxamide
CID 70276765

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[3.2.1]octane-3-carboxamide?
The IUPAC name of 1-azabicyclo[3.2.1]octane-3-carboxamide (CID 45084388) is 1-azabicyclo[3.2.1]octane-3-carboxamide.
What is the SMILES notation for 1-azabicyclo[3.2.1]octane-3-carboxamide?
The canonical SMILES for 1-azabicyclo[3.2.1]octane-3-carboxamide is NC(=O)C1CC2CCN(C2)C1.
What is the InChIKey of 1-azabicyclo[3.2.1]octane-3-carboxamide?
The InChIKey is WWTIZSRMRDUZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c9-8(11)7-3-6-1-2-10(4-6)5-7/h6-7H,1-5H2,(H2,9,11).
What are the key properties of 1-azabicyclo[3.2.1]octane-3-carboxamide?
1-azabicyclo[3.2.1]octane-3-carboxamide has a molecular weight of 154.21 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[3.2.1]octane-3-carboxamide is sourced from PubChem (CID 45084388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).