(5S)-4-pyridin-3-yl-1-azabicyclo[3.2.0]heptan-7-one

C11H12N2O — CID 139892593

IUPAC(5S)-4-pyridin-3-yl-1-azabicyclo[3.2.0]heptan-7-one
SMILESO=C1C[C@H]2C(c3cccnc3)CCN12
InChIInChI=1S/C11H12N2O/c14-11-6-10-9(3-5-13(10)11)8-2-1-4-12-7-8/h1-2,4,7,9-10H,3,5-6H2/t9?,10-/m0/s1
InChIKeyKXTREVNUECHFRR-AXDSSHIGSA-N
MW188.23 g/mol
LogP1.17
Rot. Bonds1

About (5S)-4-pyridin-3-yl-1-azabicyclo[3.2.0]heptan-7-one

(5S)-4-pyridin-3-yl-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 139892593) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is (5S)-4-pyridin-3-yl-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name(5S)-4-pyridin-3-yl-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID139892593
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name(5S)-4-pyridin-3-yl-1-azabicyclo[3.2.0]heptan-7-one
SMILESO=C1C[C@H]2C(c3cccnc3)CCN12
InChIInChI=1S/C11H12N2O/c14-11-6-10-9(3-5-13(10)11)8-2-1-4-12-7-8/h1-2,4,7,9-10H,3,5-6H2/t9?,10-/m0/s1
InChIKeyKXTREVNUECHFRR-AXDSSHIGSA-N
XLogP1.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 22126635
3-(2-methylcyclobutyl)pyridine
CID 174716389
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CID 142785630
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
3-pyridin-3-ylcyclopentan-1-one
CID 59265971
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
3-(2-bromocyclopropyl)pyridine
CID 130539890
(1S,5R,6R)-8-methyl-6-pyridin-3-yl-8-azabicyclo[3.2.1]octane
CID 10774486
6-pyridin-3-yldiazinan-3-one
CID 20559353
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
CID 159245541
CID 159245541

Frequently Asked Questions

What is the IUPAC name of (5S)-4-pyridin-3-yl-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of (5S)-4-pyridin-3-yl-1-azabicyclo[3.2.0]heptan-7-one (CID 139892593) is (5S)-4-pyridin-3-yl-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for (5S)-4-pyridin-3-yl-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for (5S)-4-pyridin-3-yl-1-azabicyclo[3.2.0]heptan-7-one is O=C1C[C@H]2C(c3cccnc3)CCN12.
What is the InChIKey of (5S)-4-pyridin-3-yl-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is KXTREVNUECHFRR-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H12N2O/c14-11-6-10-9(3-5-13(10)11)8-2-1-4-12-7-8/h1-2,4,7,9-10H,3,5-6H2/t9?,10-/m0/s1.
What are the key properties of (5S)-4-pyridin-3-yl-1-azabicyclo[3.2.0]heptan-7-one?
(5S)-4-pyridin-3-yl-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 188.23 g/mol, XLogP of 1.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-4-pyridin-3-yl-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 139892593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).