[(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone

C11H17NO — CID 58488078

IUPAC[(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1C[C@@H]2CC[C@@H](C2)C1
InChIInChI=1S/C11H17NO/c13-11(10-3-4-10)12-6-8-1-2-9(5-8)7-12/h8-10H,1-7H2/t8-,9+
InChIKeyHFEDMORXXSZDEI-DTORHVGOSA-N
MW179.26 g/mol
LogP1.65
Rot. Bonds1

About [(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone

[(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone (PubChem CID 58488078) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is [(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone
PubChem CID58488078
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name[(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone
SMILESO=C(C1CC1)N1C[C@@H]2CC[C@@H](C2)C1
InChIInChI=1S/C11H17NO/c13-11(10-3-4-10)12-6-8-1-2-9(5-8)7-12/h8-10H,1-7H2/t8-,9+
InChIKeyHFEDMORXXSZDEI-DTORHVGOSA-N
XLogP1.65
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-azabicyclo[3.3.1]nonan-3-yl-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 171153397
cyclopropyl-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]methanone
CID 130678865
cyclopentyl(3,6-diazabicyclo[3.2.2]nonan-3-yl)methanone
CID 45110662
(3-aminocyclopentyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107217532
2-azabicyclo[2.2.1]heptan-2-yl(cyclobutyl)methanone
CID 130708819
[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]oxidanium
CID 163257511
1-[4-[4-(4-acetylpiperazine-1-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 2375184
3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-2-yl(oxan-4-yl)methanone
CID 91472362
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777
[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-cyclopropylmethanone
CID 70649001
cyclopropyl(3,6-diazabicyclo[3.1.1]heptan-3-yl)methanone;(2S,3R,4S,5R)-2,3,4,5-tetrahydroxyhexanedioic acid
CID 66548386
cyclopropyl-(3,4-dimethylpiperidin-1-yl)methanone
CID 21061776

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone?
The IUPAC name of [(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone (CID 58488078) is [(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone.
What is the SMILES notation for [(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone?
The canonical SMILES for [(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone is O=C(C1CC1)N1C[C@@H]2CC[C@@H](C2)C1.
What is the InChIKey of [(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone?
The InChIKey is HFEDMORXXSZDEI-DTORHVGOSA-N. The full InChI is InChI=1S/C11H17NO/c13-11(10-3-4-10)12-6-8-1-2-9(5-8)7-12/h8-10H,1-7H2/t8-,9+.
What are the key properties of [(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone?
[(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone has a molecular weight of 179.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone is sourced from PubChem (CID 58488078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).