2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone

C12H19NO — CID 130494925

IUPAC2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone
SMILESO=C(CC1CNC1)C1CC2CCC1C2
InChIInChI=1S/C12H19NO/c14-12(5-9-6-13-7-9)11-4-8-1-2-10(11)3-8/h8-11,13H,1-7H2
InChIKeyUMIMEDDSBFBIGR-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.60
Rot. Bonds3

About 2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone

2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone (PubChem CID 130494925) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone
PubChem CID130494925
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone
SMILESO=C(CC1CNC1)C1CC2CCC1C2
InChIInChI=1S/C12H19NO/c14-12(5-9-6-13-7-9)11-4-8-1-2-10(11)3-8/h8-11,13H,1-7H2
InChIKeyUMIMEDDSBFBIGR-UHFFFAOYSA-N
XLogP1.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]propan-1-one
CID 130026878
(1S,2S,4S)-N-[2-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 124716151
(1R,2S,4R)-N-[2-[[(1R,2R,4R)-bicyclo[2.2.1]heptane-2-carbonyl]amino]ethyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98123961
(1S,2R,4R)-bicyclo[2.2.1]heptane-2-carboxylate
CID 19564455
2-(azetidin-3-yl)-1-cyclobutylethanone
CID 116582434
bicyclo[2.2.1]heptane-2-carbonyl fluoride
CID 86250124
bicyclo[2.2.1]heptane-2-carboxylic acid;gold
CID 175291828
N-[3-(bicyclo[2.2.1]heptane-2-carbonylamino)propyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 4122681
2-(2-bicyclo[2.2.1]heptanyl)-N-(pyrrolidin-3-ylmethyl)acetamide
CID 80564596
2-hydroxy-1-[5-(2-hydroxyacetyl)-2-bicyclo[2.2.2]octanyl]ethanone
CID 118500429
N-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 104826199
N-[(4-chlorocyclohexyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 106133416

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone (CID 130494925) is 2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone is O=C(CC1CNC1)C1CC2CCC1C2.
What is the InChIKey of 2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone?
The InChIKey is UMIMEDDSBFBIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c14-12(5-9-6-13-7-9)11-4-8-1-2-10(11)3-8/h8-11,13H,1-7H2.
What are the key properties of 2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone?
2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone has a molecular weight of 193.29 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(2-bicyclo[2.2.1]heptanyl)ethanone is sourced from PubChem (CID 130494925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).