3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one

C12H16N2O — CID 84583378

IUPAC3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1ccccn1)N1CCCC1
InChIInChI=1S/C12H16N2O/c15-12(14-9-3-4-10-14)7-6-11-5-1-2-8-13-11/h1-2,5,8H,3-4,6-7,9-10H2
InChIKeyUJUNVZPLSGUFAL-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.64
Rot. Bonds3

About 3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one

3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 84583378) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID84583378
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1ccccn1)N1CCCC1
InChIInChI=1S/C12H16N2O/c15-12(14-9-3-4-10-14)7-6-11-5-1-2-8-13-11/h1-2,5,8H,3-4,6-7,9-10H2
InChIKeyUJUNVZPLSGUFAL-UHFFFAOYSA-N
XLogP1.64
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 136534066
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199
1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129005727
3-(pyridin-2-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 28654758
4-phenyl-1-(3-pyridin-2-ylpropanoyl)piperidine-4-carboxylic acid
CID 120613659
1-(3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridin-2-ylpropan-1-one
CID 112534839
3-phenyl-1-[4-(2-pyridin-2-ylethyl)-1,4-diazepan-1-yl]propan-1-one
CID 71923297
3-pyridin-2-yl-1-(4-pyrrolidin-2-ylpiperidin-1-yl)propan-1-one
CID 114289968
1-[(3S)-3-(4-phenylbenzoyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 25288026
1-[3-(1-aminoethyl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;dihydrochloride
CID 119596760
1-[3-(methylamino)pyrrolidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 81466575

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one (CID 84583378) is 3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one is O=C(CCc1ccccn1)N1CCCC1.
What is the InChIKey of 3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is UJUNVZPLSGUFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c15-12(14-9-3-4-10-14)7-6-11-5-1-2-8-13-11/h1-2,5,8H,3-4,6-7,9-10H2.
What are the key properties of 3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one?
3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 204.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 84583378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).