bis(2,3,4,5-tetrahydropyridin-3-yl)methanone

C11H16N2O — CID 54262252

IUPACbis(2,3,4,5-tetrahydropyridin-3-yl)methanone
SMILESO=C(C1CCC=NC1)C1CCC=NC1
InChIInChI=1S/C11H16N2O/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10/h5-6,9-10H,1-4,7-8H2
InChIKeyREIAEEFTTWTARS-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.52
Rot. Bonds2

About bis(2,3,4,5-tetrahydropyridin-3-yl)methanone

bis(2,3,4,5-tetrahydropyridin-3-yl)methanone (PubChem CID 54262252) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is bis(2,3,4,5-tetrahydropyridin-3-yl)methanone.

Molecular Properties

Compound Namebis(2,3,4,5-tetrahydropyridin-3-yl)methanone
PubChem CID54262252
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Namebis(2,3,4,5-tetrahydropyridin-3-yl)methanone
SMILESO=C(C1CCC=NC1)C1CCC=NC1
InChIInChI=1S/C11H16N2O/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10/h5-6,9-10H,1-4,7-8H2
InChIKeyREIAEEFTTWTARS-UHFFFAOYSA-N
XLogP1.52
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone
CID 169232192
1-[(3S)-5-methyl-2,3,4,5-tetrahydropyridin-3-yl]ethanone
CID 169232193

Frequently Asked Questions

What is the IUPAC name of bis(2,3,4,5-tetrahydropyridin-3-yl)methanone?
The IUPAC name of bis(2,3,4,5-tetrahydropyridin-3-yl)methanone (CID 54262252) is bis(2,3,4,5-tetrahydropyridin-3-yl)methanone.
What is the SMILES notation for bis(2,3,4,5-tetrahydropyridin-3-yl)methanone?
The canonical SMILES for bis(2,3,4,5-tetrahydropyridin-3-yl)methanone is O=C(C1CCC=NC1)C1CCC=NC1.
What is the InChIKey of bis(2,3,4,5-tetrahydropyridin-3-yl)methanone?
The InChIKey is REIAEEFTTWTARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c14-11(9-3-1-5-12-7-9)10-4-2-6-13-8-10/h5-6,9-10H,1-4,7-8H2.
What are the key properties of bis(2,3,4,5-tetrahydropyridin-3-yl)methanone?
bis(2,3,4,5-tetrahydropyridin-3-yl)methanone has a molecular weight of 192.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,3,4,5-tetrahydropyridin-3-yl)methanone is sourced from PubChem (CID 54262252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).