2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate

C14H22FNO3 — CID 66725987

IUPAC2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate
SMILESCCC(C(=O)OCC(C)C)N1CC(/C=C\F)CC1=O
InChIInChI=1S/C14H22FNO3/c1-4-12(14(18)19-9-10(2)3)16-8-11(5-6-15)7-13(16)17/h5-6,10-12H,4,7-9H2,1-3H3/b6-5-
InChIKeyRXCOTOXIMDINMP-WAYWQWQTSA-N
MW271.33 g/mol
LogP2.30
Rot. Bonds6

About 2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate

2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate (PubChem CID 66725987) has the molecular formula C14H22FNO3 and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate.

Molecular Properties

Compound Name2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate
PubChem CID66725987
Molecular FormulaC14H22FNO3
Molecular Weight271.33 g/mol
Exact Mass271.16
IUPAC Name2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate
SMILESCCC(C(=O)OCC(C)C)N1CC(/C=C\F)CC1=O
InChIInChI=1S/C14H22FNO3/c1-4-12(14(18)19-9-10(2)3)16-8-11(5-6-15)7-13(16)17/h5-6,10-12H,4,7-9H2,1-3H3/b6-5-
InChIKeyRXCOTOXIMDINMP-WAYWQWQTSA-N
XLogP2.30
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate?
The IUPAC name of 2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate (CID 66725987) is 2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate.
What is the SMILES notation for 2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate?
The canonical SMILES for 2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate is CCC(C(=O)OCC(C)C)N1CC(/C=C\F)CC1=O.
What is the InChIKey of 2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate?
The InChIKey is RXCOTOXIMDINMP-WAYWQWQTSA-N. The full InChI is InChI=1S/C14H22FNO3/c1-4-12(14(18)19-9-10(2)3)16-8-11(5-6-15)7-13(16)17/h5-6,10-12H,4,7-9H2,1-3H3/b6-5-.
What are the key properties of 2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate?
2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate has a molecular weight of 271.33 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[4-[(Z)-2-fluoroethenyl]-2-oxopyrrolidin-1-yl]butanoate is sourced from PubChem (CID 66725987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).