(1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one

C10H17NO — CID 98070007

IUPAC(1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one
SMILESCCCN1C[C@@H]2CC[C@@H](C1)C2=O
InChIInChI=1S/C10H17NO/c1-2-5-11-6-8-3-4-9(7-11)10(8)12/h8-9H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyOWVPKAYXJLCICH-IUCAKERBSA-N
MW167.25 g/mol
LogP1.31
Rot. Bonds2

About (1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one

(1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one (PubChem CID 98070007) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one.

Molecular Properties

Compound Name(1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one
PubChem CID98070007
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one
SMILESCCCN1C[C@@H]2CC[C@@H](C1)C2=O
InChIInChI=1S/C10H17NO/c1-2-5-11-6-8-3-4-9(7-11)10(8)12/h8-9H,2-7H2,1H3/t8-,9-/m0/s1
InChIKeyOWVPKAYXJLCICH-IUCAKERBSA-N
XLogP1.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-3-propyl-3-azabicyclo[3.1.1]heptan-6-one
CID 98070002
(6S)-3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one
CID 15068666
3-butyl-6-(dimethylamino)-3-azabicyclo[3.3.1]nonan-9-one
CID 21293379
1-(1-propylazetidin-3-yl)pyrrolidine-2,5-dione
CID 121183852
(3S,4S)-3,4-dimethyl-1-propylpyrrolidine
CID 59055005
1-(1-propylazetidin-3-yl)pyrrole-2,5-dione
CID 131043117
3-tert-butyl-1-propylazetidine
CID 134337419
6-methyl-4-propylpiperazin-2-one
CID 129133704
(1S,5S)-3-propan-2-yl-3-azabicyclo[3.2.1]octan-8-one
CID 98053855
3-amino-1-(1-propylazetidin-3-yl)pyrrolidin-2-one
CID 130671112
butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 150038372
2-methyl-5-propyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185272

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one?
The IUPAC name of (1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one (CID 98070007) is (1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one.
What is the SMILES notation for (1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one?
The canonical SMILES for (1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one is CCCN1C[C@@H]2CC[C@@H](C1)C2=O.
What is the InChIKey of (1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one?
The InChIKey is OWVPKAYXJLCICH-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-5-11-6-8-3-4-9(7-11)10(8)12/h8-9H,2-7H2,1H3/t8-,9-/m0/s1.
What are the key properties of (1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one?
(1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one has a molecular weight of 167.25 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-3-propyl-3-azabicyclo[3.2.1]octan-8-one is sourced from PubChem (CID 98070007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).