[(6S)-5-azaspiro[2.4]heptan-6-yl]-pyridin-2-ylmethanone

C12H14N2O — CID 172991290

IUPAC[(6S)-5-azaspiro[2.4]heptan-6-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)[C@@H]1CC2(CC2)CN1
InChIInChI=1S/C12H14N2O/c15-11(9-3-1-2-6-13-9)10-7-12(4-5-12)8-14-10/h1-3,6,10,14H,4-5,7-8H2/t10-/m0/s1
InChIKeyWXCMOHROWNOKTB-JTQLQIEISA-N
MW202.26 g/mol
LogP1.41
Rot. Bonds2

About [(6S)-5-azaspiro[2.4]heptan-6-yl]-pyridin-2-ylmethanone

[(6S)-5-azaspiro[2.4]heptan-6-yl]-pyridin-2-ylmethanone (PubChem CID 172991290) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is [(6S)-5-azaspiro[2.4]heptan-6-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(6S)-5-azaspiro[2.4]heptan-6-yl]-pyridin-2-ylmethanone
PubChem CID172991290
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name[(6S)-5-azaspiro[2.4]heptan-6-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)[C@@H]1CC2(CC2)CN1
InChIInChI=1S/C12H14N2O/c15-11(9-3-1-2-6-13-9)10-7-12(4-5-12)8-14-10/h1-3,6,10,14H,4-5,7-8H2/t10-/m0/s1
InChIKeyWXCMOHROWNOKTB-JTQLQIEISA-N
XLogP1.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminocyclobutyl)-pyridin-2-ylmethanone
CID 116917775
oxiran-2-yl(pyridin-2-yl)methanone
CID 89057546
6-oxaspiro[4.5]decan-9-yl(pyridin-2-yl)methanone
CID 79913229
4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 116918674
[(1R,2R)-2-hydroxy-2-pyridin-2-ylcyclopentyl]-pyridin-2-ylmethanone
CID 10849496
2,6-diazaspiro[3.3]heptan-2-yl(pyridin-2-yl)methanone
CID 166159425
(2,6-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 63911767
4-(pyridine-2-carbonyl)cyclohexan-1-one
CID 116920313
[(1R,2S)-2-phenylcyclopropyl]-pyridin-2-ylmethanone
CID 1471621
4-(pyridine-2-carbonyl)piperazine-2,6-dione
CID 66085705
gadolinium;pyridine-2-carboxylic acid
CID 175231422
N-[2-[(3-methyl-2-pyridinyl)amino]ethyl]-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56910669

Frequently Asked Questions

What is the IUPAC name of [(6S)-5-azaspiro[2.4]heptan-6-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(6S)-5-azaspiro[2.4]heptan-6-yl]-pyridin-2-ylmethanone (CID 172991290) is [(6S)-5-azaspiro[2.4]heptan-6-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(6S)-5-azaspiro[2.4]heptan-6-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(6S)-5-azaspiro[2.4]heptan-6-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)[C@@H]1CC2(CC2)CN1.
What is the InChIKey of [(6S)-5-azaspiro[2.4]heptan-6-yl]-pyridin-2-ylmethanone?
The InChIKey is WXCMOHROWNOKTB-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O/c15-11(9-3-1-2-6-13-9)10-7-12(4-5-12)8-14-10/h1-3,6,10,14H,4-5,7-8H2/t10-/m0/s1.
What are the key properties of [(6S)-5-azaspiro[2.4]heptan-6-yl]-pyridin-2-ylmethanone?
[(6S)-5-azaspiro[2.4]heptan-6-yl]-pyridin-2-ylmethanone has a molecular weight of 202.26 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-5-azaspiro[2.4]heptan-6-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 172991290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).