pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone

C13H15NO — CID 164649275

IUPACpyridin-3-yl(spiro[3.3]heptan-2-yl)methanone
SMILESO=C(c1cccnc1)C1CC2(CCC2)C1
InChIInChI=1S/C13H15NO/c15-12(10-3-1-6-14-9-10)11-7-13(8-11)4-2-5-13/h1,3,6,9,11H,2,4-5,7-8H2
InChIKeyISMVZBOXGMJNPM-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.84
Rot. Bonds2

About pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone

pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone (PubChem CID 164649275) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone.

Molecular Properties

Compound Namepyridin-3-yl(spiro[3.3]heptan-2-yl)methanone
PubChem CID164649275
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Namepyridin-3-yl(spiro[3.3]heptan-2-yl)methanone
SMILESO=C(c1cccnc1)C1CC2(CCC2)C1
InChIInChI=1S/C13H15NO/c15-12(10-3-1-6-14-9-10)11-7-13(8-11)4-2-5-13/h1,3,6,9,11H,2,4-5,7-8H2
InChIKeyISMVZBOXGMJNPM-UHFFFAOYSA-N
XLogP2.84
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

pyrimidin-5-yl(spiro[3.3]heptan-2-yl)methanone
CID 164649276
[2-(3,4-dichlorophenyl)-2-azaspiro[3.3]heptan-6-yl]-pyridin-3-ylmethanone
CID 162379853
oxan-4-yl(pyridin-3-yl)methanone
CID 11321445
piperidin-4-yl(pyridin-3-yl)methanone;hydrochloride
CID 46736476
1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile
CID 116921578
(3-methylcyclopentyl)-pyridin-3-ylmethanone
CID 65402744
piperidin-3-yl(pyridin-3-yl)methanone;dihydrochloride
CID 73012650
1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid
CID 116921877
1-[4-(pyridine-3-carbonyl)piperidin-1-yl]prop-2-en-1-one
CID 152798944
2-azaspiro[5.5]undecan-2-yl(pyridin-3-yl)methanone
CID 54582941
(3-methyl-1,4-dithian-2-yl)-pyridin-3-ylmethanone
CID 115385690
(2-methoxy-7-azaspiro[3.5]nonan-7-yl)-pyridin-3-ylmethanone
CID 97451282

Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone?
The IUPAC name of pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone (CID 164649275) is pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone.
What is the SMILES notation for pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone?
The canonical SMILES for pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone is O=C(c1cccnc1)C1CC2(CCC2)C1.
What is the InChIKey of pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone?
The InChIKey is ISMVZBOXGMJNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-12(10-3-1-6-14-9-10)11-7-13(8-11)4-2-5-13/h1,3,6,9,11H,2,4-5,7-8H2.
What are the key properties of pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone?
pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone has a molecular weight of 201.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl(spiro[3.3]heptan-2-yl)methanone is sourced from PubChem (CID 164649275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).