cyclopropyl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone

C13H16N2O2 — CID 110196251

IUPACcyclopropyl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
SMILESO=C(C1CC1)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C13H16N2O2/c16-13(10-3-4-10)15-7-5-12(9-15)17-11-2-1-6-14-8-11/h1-2,6,8,10,12H,3-5,7,9H2
InChIKeyCSNAAOUOUVUDLT-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.47
Rot. Bonds3

About cyclopropyl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone

cyclopropyl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone (PubChem CID 110196251) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is cyclopropyl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Namecyclopropyl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
PubChem CID110196251
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Namecyclopropyl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
SMILESO=C(C1CC1)N1CCC(Oc2cccnc2)C1
InChIInChI=1S/C13H16N2O2/c16-13(10-3-4-10)15-7-5-12(9-15)17-11-2-1-6-14-8-11/h1-2,6,8,10,12H,3-5,7,9H2
InChIKeyCSNAAOUOUVUDLT-UHFFFAOYSA-N
XLogP1.47
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

A-84543
CID 9794141
3-(2-(N,N,N-trimethylammonium)ethoxy)pyridine
CID 9794401
N,N-dimethyl-2-(pyridin-3-yloxy)ethanamine
CID 10197862
3-[(1-Methylpyrrolidin-2-yl)methoxy]pyridine
CID 21851988
Trimethyl(2-pyridin-3-yloxyethyl)azanium;chloride
CID 9794400
3-(1-Methyl-3-pyrrolidinyloxy)-pyridine
CID 10130211
3-(Pyrrolidin-3-yloxy)pyridine
CID 10154205
3-(2-Pyrrolidin-1-yl-ethoxy)-pyridine
CID 10679307
3-[[(2R)-1-Methyl-2-pyrrolidinyl]methoxy]pyridine
CID 10774126
3-((3S)-3-Pyrrolidinyloxy)pyridine
CID 12112233
(3R)-3-(pyridin-3-yloxy)pyrrolidine
CID 16102636
n,n-Dimethyl-1-[(3-pyridyloxy)methyl]cyclopropanamine hydrochloride
CID 22325080

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The IUPAC name of cyclopropyl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone (CID 110196251) is cyclopropyl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone.
What is the SMILES notation for cyclopropyl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The canonical SMILES for cyclopropyl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone is O=C(C1CC1)N1CCC(Oc2cccnc2)C1.
What is the InChIKey of cyclopropyl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
The InChIKey is CSNAAOUOUVUDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-13(10-3-4-10)15-7-5-12(9-15)17-11-2-1-6-14-8-11/h1-2,6,8,10,12H,3-5,7,9H2.
What are the key properties of cyclopropyl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone?
cyclopropyl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone has a molecular weight of 232.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 110196251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).