5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile

C15H11FN2O — CID 21331553

IUPAC5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile
SMILESN#CC1CCn2c(C(=O)c3ccccc3F)ccc21
InChIInChI=1S/C15H11FN2O/c16-12-4-2-1-3-11(12)15(19)14-6-5-13-10(9-17)7-8-18(13)14/h1-6,10H,7-8H2
InChIKeyUCOZAYJOXRAAIH-UHFFFAOYSA-N
MW254.26 g/mol
LogP2.87
Rot. Bonds2

About 5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile

5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile (PubChem CID 21331553) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile.

Molecular Properties

Compound Name5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile
PubChem CID21331553
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile
SMILESN#CC1CCn2c(C(=O)c3ccccc3F)ccc21
InChIInChI=1S/C15H11FN2O/c16-12-4-2-1-3-11(12)15(19)14-6-5-13-10(9-17)7-8-18(13)14/h1-6,10H,7-8H2
InChIKeyUCOZAYJOXRAAIH-UHFFFAOYSA-N
XLogP2.87
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluorobenzoyl)-1-methylpyrrole-2-carboxylic acid
CID 84728759
N-(4-cyanocyclohexyl)-2-fluorobenzamide
CID 115270160
[2-(2-fluorobenzoyl)phenyl]-(2-fluorophenyl)methanone
CID 130332183
(2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564738
N-[1-(cyanomethyl)piperidin-4-yl]-2-fluorobenzamide
CID 60968606
4-(2-fluorobenzoyl)piperidine-1-carbaldehyde
CID 53415342
cyclopropyl-(2-fluorophenyl)methanone
CID 22750154
(2-fluorophenyl)-(2,4,5-trifluorophenyl)methanone
CID 103301189
(2-fluorophenyl)-(2-hydroxypyrazol-3-yl)methanone
CID 101167756
2-amino-N-[2-chloro-5-(2-fluorobenzoyl)pyrrol-1-yl]acetamide;hydrobromide
CID 70341615
2-fluorobenzoic acid;oxalic acid;hydrate
CID 172785033
(2-fluorophenyl)-[1-methyl-5-(3-methyl-3-pyridin-2-ylazetidine-1-carbonyl)pyrrol-2-yl]methanone
CID 164595766

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile?
The IUPAC name of 5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile (CID 21331553) is 5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile.
What is the SMILES notation for 5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile?
The canonical SMILES for 5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile is N#CC1CCn2c(C(=O)c3ccccc3F)ccc21.
What is the InChIKey of 5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile?
The InChIKey is UCOZAYJOXRAAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c16-12-4-2-1-3-11(12)15(19)14-6-5-13-10(9-17)7-8-18(13)14/h1-6,10H,7-8H2.
What are the key properties of 5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile?
5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile has a molecular weight of 254.26 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carbonitrile is sourced from PubChem (CID 21331553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).