1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone

C15H19FN2O — CID 87786267

IUPAC1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone
SMILESC1CN2CC12.O=C(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C11H12FNO.C4H7N/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13;1-2-5-3-4(1)5/h3-6H,1-2,7-8H2;4H,1-3H2
InChIKeyAAJNRYOVDWTFPO-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.14
Rot. Bonds1

About 1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone

1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone (PubChem CID 87786267) has the molecular formula C15H19FN2O and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone
PubChem CID87786267
Molecular FormulaC15H19FN2O
Molecular Weight262.33 g/mol
Exact Mass262.15
IUPAC Name1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone
SMILESC1CN2CC12.O=C(c1ccc(F)cc1)N1CCCC1
InChIInChI=1S/C11H12FNO.C4H7N/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13;1-2-5-3-4(1)5/h3-6H,1-2,7-8H2;4H,1-3H2
InChIKeyAAJNRYOVDWTFPO-UHFFFAOYSA-N
XLogP2.14
TPSA23.32 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

[4-[4-(4-fluorophenoxy)phenoxy]phenyl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 24794465
[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 936701
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
[4-(4-piperidin-1-ylpiperidine-1-carbonyl)phenyl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 70679311
[1-(4-fluorobenzoyl)piperidin-3-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 110883925
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
[4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24610437
N-(4-fluorophenyl)-4-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)benzenesulfonamide
CID 56544473

Frequently Asked Questions

What is the IUPAC name of 1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone?
The IUPAC name of 1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone (CID 87786267) is 1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for 1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for 1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone is C1CN2CC12.O=C(c1ccc(F)cc1)N1CCCC1.
What is the InChIKey of 1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone?
The InChIKey is AAJNRYOVDWTFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO.C4H7N/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13;1-2-5-3-4(1)5/h3-6H,1-2,7-8H2;4H,1-3H2.
What are the key properties of 1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone?
1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone has a molecular weight of 262.33 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azabicyclo[2.1.0]pentane;(4-fluorophenyl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 87786267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).