cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone

C15H14FNO — CID 79097570

IUPACcyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone
SMILESO=C(c1ccn(Cc2ccccc2F)c1)C1CC1
InChIInChI=1S/C15H14FNO/c16-14-4-2-1-3-12(14)9-17-8-7-13(10-17)15(18)11-5-6-11/h1-4,7-8,10-11H,5-6,9H2
InChIKeyARFFIUKMTOBEFO-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.27
Rot. Bonds4

About cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone

cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone (PubChem CID 79097570) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone
PubChem CID79097570
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Namecyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone
SMILESO=C(c1ccn(Cc2ccccc2F)c1)C1CC1
InChIInChI=1S/C15H14FNO/c16-14-4-2-1-3-12(14)9-17-8-7-13(10-17)15(18)11-5-6-11/h1-4,7-8,10-11H,5-6,9H2
InChIKeyARFFIUKMTOBEFO-UHFFFAOYSA-N
XLogP3.27
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(5-chloro-2-fluorophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone
CID 103047356
cyclopropyl-[1-[(2,4-difluorophenyl)methyl]pyrrol-3-yl]methanone
CID 79097333
1-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]-2-methylpropan-1-one
CID 79109445
[1-[(2-chloro-4-methylphenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone
CID 106865802
cyclopropyl-[1-[(1-methylindazol-3-yl)methyl]pyrrol-3-yl]methanone
CID 79108647
[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanol
CID 66400172
[1-[(2-chloro-4-nitrophenyl)methyl]pyrrol-3-yl]-cyclopropylmethanone
CID 79108636
1-[(2-chloro-3-fluorophenyl)methyl]pyrrole-3-carboxylic acid
CID 112652517
(4-fluorophenyl)-[1-[2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]ethyl]piperidin-4-yl]methanone
CID 57279931
(4-fluorophenyl)-[1-[4-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]butyl]piperidin-4-yl]methanone
CID 57162230
cyclopropyl-[1-[2-(dimethylamino)ethyl]pyrrol-3-yl]methanone
CID 79097328
1-[1-[(2-chloro-3-fluorophenyl)methyl]pyrrol-3-yl]-2,2,2-trifluoroethanone
CID 115983300

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone?
The IUPAC name of cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone (CID 79097570) is cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone.
What is the SMILES notation for cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone?
The canonical SMILES for cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone is O=C(c1ccn(Cc2ccccc2F)c1)C1CC1.
What is the InChIKey of cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone?
The InChIKey is ARFFIUKMTOBEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c16-14-4-2-1-3-12(14)9-17-8-7-13(10-17)15(18)11-5-6-11/h1-4,7-8,10-11H,5-6,9H2.
What are the key properties of cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone?
cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone has a molecular weight of 243.28 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[1-[(2-fluorophenyl)methyl]pyrrol-3-yl]methanone is sourced from PubChem (CID 79097570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).