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

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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).