3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentan-1-one

C11H17NO — CID 79642685

IUPAC3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentan-1-one
SMILESO=C1CCC(N2CC3CCC2C3)C1
InChIInChI=1S/C11H17NO/c13-11-4-3-10(6-11)12-7-8-1-2-9(12)5-8/h8-10H,1-7H2
InChIKeyFRTYZPSEAQPTIP-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.59
Rot. Bonds1

About 3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentan-1-one

3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentan-1-one (PubChem CID 79642685) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentan-1-one
PubChem CID79642685
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentan-1-one
SMILESO=C1CCC(N2CC3CCC2C3)C1
InChIInChI=1S/C11H17NO/c13-11-4-3-10(6-11)12-7-8-1-2-9(12)5-8/h8-10H,1-7H2
InChIKeyFRTYZPSEAQPTIP-UHFFFAOYSA-N
XLogP1.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Tert-butyl-2-azabicyclo[2.2.1]heptan-6-one
CID 58306343
(3R)-3-methyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-one
CID 59074751
(3R)-3,6-dimethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-one
CID 59074764
2-Tert-butyl-2-azabicyclo[2.2.1]heptan-5-one
CID 59354855
2-Ethyl-2-azabicyclo[2.2.1]heptan-5-one
CID 67989500
2-Methyl-2-azabicyclo[2.2.1]heptan-5-one
CID 89628789
(1S,3R,4S)-3,6-dimethyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-one
CID 91010228
(1S,3R,4S)-3-methyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptan-5-one
CID 91050930
2-Propan-2-yl-2-azabicyclo[2.2.1]heptan-5-one
CID 130312310
(1R,4R)-2-methyl-2-azabicyclo[2.2.1]heptan-5-one
CID 130337646
2-(2-Methylpropyl)-2-azabicyclo[2.2.1]heptan-6-one
CID 134451834
Ethane;2-methyl-2-azabicyclo[2.2.1]heptan-5-one
CID 144353011

Frequently Asked Questions

What is the IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentan-1-one?
The IUPAC name of 3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentan-1-one (CID 79642685) is 3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentan-1-one?
The canonical SMILES for 3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentan-1-one is O=C1CCC(N2CC3CCC2C3)C1.
What is the InChIKey of 3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentan-1-one?
The InChIKey is FRTYZPSEAQPTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c13-11-4-3-10(6-11)12-7-8-1-2-9(12)5-8/h8-10H,1-7H2.
What are the key properties of 3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentan-1-one?
3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentan-1-one has a molecular weight of 179.26 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azabicyclo[2.2.1]heptan-2-yl)cyclopentan-1-one is sourced from PubChem (CID 79642685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).