1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone

C17H20FNO2 — CID 167806141

IUPAC1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
SMILESCOc1c(F)cccc1CC1CCCN1C(=O)C12CC1C2
InChIInChI=1S/C17H20FNO2/c1-21-15-11(4-2-6-14(15)18)8-13-5-3-7-19(13)16(20)17-9-12(17)10-17/h2,4,6,12-13H,3,5,7-10H2,1H3
InChIKeyLRNKFBAIKURNPX-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.78
Rot. Bonds4

About 1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone

1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 167806141) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
PubChem CID167806141
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Name1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
SMILESCOc1c(F)cccc1CC1CCCN1C(=O)C12CC1C2
InChIInChI=1S/C17H20FNO2/c1-21-15-11(4-2-6-14(15)18)8-13-5-3-7-19(13)16(20)17-9-12(17)10-17/h2,4,6,12-13H,3,5,7-10H2,1H3
InChIKeyLRNKFBAIKURNPX-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

3-[[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methyl]-1,2-thiazole
CID 167781479
1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110671110
tert-butyl (2S)-2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carboxylate
CID 50905252
[4-fluoro-3-(trifluoromethyl)phenyl]-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone
CID 94840195
[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 94816958
4-[2-[(2-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673250
1-[(2S)-2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-3-[(2R)-oxolan-2-yl]propan-1-one
CID 94805864
[2-[(2-methoxyphenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 51100049
3-(2-fluorophenyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]propan-1-one
CID 46421185
1-[(3-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 167713391
(2R)-2-(naphthalen-1-ylmethyl)-N-propan-2-ylpyrrolidine-1-carbothioamide
CID 94870483
N-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)piperidine-1-carboxamide
CID 119059677

Frequently Asked Questions

What is the IUPAC name of 1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of 1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone (CID 167806141) is 1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for 1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for 1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone is COc1c(F)cccc1CC1CCCN1C(=O)C12CC1C2.
What is the InChIKey of 1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is LRNKFBAIKURNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-21-15-11(4-2-6-14(15)18)8-13-5-3-7-19(13)16(20)17-9-12(17)10-17/h2,4,6,12-13H,3,5,7-10H2,1H3.
What are the key properties of 1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone?
1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 289.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bicyclo[1.1.0]butanyl-[2-[(3-fluoro-2-methoxyphenyl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 167806141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).