(1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide

C8H14N2O — CID 173085289

IUPAC(1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide
SMILESNC(=O)[C@]12CCC[C@H](CC1)N2
InChIInChI=1S/C8H14N2O/c9-7(11)8-4-1-2-6(10-8)3-5-8/h6,10H,1-5H2,(H2,9,11)/t6-,8+/m1/s1
InChIKeyCULDHZPVFJXLKP-SVRRBLITSA-N
MW154.21 g/mol
LogP0.15
Rot. Bonds1

About (1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide

(1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide (PubChem CID 173085289) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide.

Molecular Properties

Compound Name(1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide
PubChem CID173085289
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide
SMILESNC(=O)[C@]12CCC[C@H](CC1)N2
InChIInChI=1S/C8H14N2O/c9-7(11)8-4-1-2-6(10-8)3-5-8/h6,10H,1-5H2,(H2,9,11)/t6-,8+/m1/s1
InChIKeyCULDHZPVFJXLKP-SVRRBLITSA-N
XLogP0.15
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

7-azabicyclo[2.2.1]heptan-1-yl(phenyl)methanone
CID 67284977
(1S,4R)-5-azabicyclo[2.1.1]hexane-1-carboxylic acid
CID 102086861
2-azabicyclo[3.2.1]octane-1-carboxamide
CID 175977850
2,3,4,5,6,6a-hexahydro-1H-pentalene-3a-carboxamide
CID 12962923
3-oxa-8-azabicyclo[3.2.1]octane-1-carboxylic acid;hydrochloride
CID 155895019
1-(3,8-diazabicyclo[3.2.1]octan-1-yl)ethanone
CID 22906914
N-(8-azabicyclo[3.2.1]octan-1-yl)-2,2,2-trifluoroacetamide
CID 87570638
bicyclo[3.1.0]hexane-1-carboxamide
CID 55288730
N-[[(1R,3S)-3-hydroxycyclohexyl]-methyl-oxo-λ6-sulfanylidene]-7-azabicyclo[2.2.1]heptane-1-carboxamide
CID 166305960
1-butan-2-yl-8-azabicyclo[3.2.1]octane;(Z)-but-2-enedioic acid
CID 70278404
1-tert-butyl-9-azabicyclo[3.3.1]nonane
CID 173037930
(7R)-spiro[2.4]heptane-7-carboxamide
CID 125434800

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide?
The IUPAC name of (1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide (CID 173085289) is (1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide.
What is the SMILES notation for (1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide?
The canonical SMILES for (1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide is NC(=O)[C@]12CCC[C@H](CC1)N2.
What is the InChIKey of (1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide?
The InChIKey is CULDHZPVFJXLKP-SVRRBLITSA-N. The full InChI is InChI=1S/C8H14N2O/c9-7(11)8-4-1-2-6(10-8)3-5-8/h6,10H,1-5H2,(H2,9,11)/t6-,8+/m1/s1.
What are the key properties of (1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide?
(1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide has a molecular weight of 154.21 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-azabicyclo[3.2.1]octane-1-carboxamide is sourced from PubChem (CID 173085289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).