(1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone

C17H22N2O2 — CID 99795167

IUPAC(1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone
SMILESC=CCC1(C(=O)N2CC[C@@H](Oc3cccnc3)C2)CCC1
InChIInChI=1S/C17H22N2O2/c1-2-7-17(8-4-9-17)16(20)19-11-6-15(13-19)21-14-5-3-10-18-12-14/h2-3,5,10,12,15H,1,4,6-9,11,13H2/t15-/m1/s1
InChIKeyVLBMZXFSTKBWSX-OAHLLOKOSA-N
MW286.37 g/mol
LogP2.81
Rot. Bonds5

About (1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone

(1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone (PubChem CID 99795167) has the molecular formula C17H22N2O2 and a molecular weight of 286.37 g/mol. Its IUPAC name is (1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone
PubChem CID99795167
Molecular FormulaC17H22N2O2
Molecular Weight286.37 g/mol
Exact Mass286.17
IUPAC Name(1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone
SMILESC=CCC1(C(=O)N2CC[C@@H](Oc3cccnc3)C2)CCC1
InChIInChI=1S/C17H22N2O2/c1-2-7-17(8-4-9-17)16(20)19-11-6-15(13-19)21-14-5-3-10-18-12-14/h2-3,5,10,12,15H,1,4,6-9,11,13H2/t15-/m1/s1
InChIKeyVLBMZXFSTKBWSX-OAHLLOKOSA-N
XLogP2.81
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 124593054
(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
(2S)-2-amino-2-phenyl-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 99852524
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S)-3-pyridin-3-yloxypyrrolidin-1-yl]ethanone
CID 129382162
2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996519
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078501
(3R)-N-[(2R)-2-methyl-3-(2-methylimidazol-1-yl)propyl]-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97227591
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078503
[(5S,7R)-3-hydroxy-1-adamantyl]-(4-pyridin-3-yloxypiperidin-1-yl)methanone
CID 51589067

Frequently Asked Questions

What is the IUPAC name of (1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone?
The IUPAC name of (1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone (CID 99795167) is (1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone?
The canonical SMILES for (1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone is C=CCC1(C(=O)N2CC[C@@H](Oc3cccnc3)C2)CCC1.
What is the InChIKey of (1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone?
The InChIKey is VLBMZXFSTKBWSX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-2-7-17(8-4-9-17)16(20)19-11-6-15(13-19)21-14-5-3-10-18-12-14/h2-3,5,10,12,15H,1,4,6-9,11,13H2/t15-/m1/s1.
What are the key properties of (1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone?
(1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone has a molecular weight of 286.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-enylcyclobutyl)-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 99795167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).