1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone

C8H12FNO — CID 58938888

IUPAC1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone
SMILESCC(=O)C1C/C(=C\F)CN1C
InChIInChI=1S/C8H12FNO/c1-6(11)8-3-7(4-9)5-10(8)2/h4,8H,3,5H2,1-2H3/b7-4+
InChIKeyGQBHREVZKRDPBH-QPJJXVBHSA-N
MW157.19 g/mol
LogP1.13
Rot. Bonds1

About 1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone

1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone (PubChem CID 58938888) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is 1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone
PubChem CID58938888
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone
SMILESCC(=O)C1C/C(=C\F)CN1C
InChIInChI=1S/C8H12FNO/c1-6(11)8-3-7(4-9)5-10(8)2/h4,8H,3,5H2,1-2H3/b7-4+
InChIKeyGQBHREVZKRDPBH-QPJJXVBHSA-N
XLogP1.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone (CID 58938888) is 1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone is CC(=O)C1C/C(=C\F)CN1C.
What is the InChIKey of 1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone?
The InChIKey is GQBHREVZKRDPBH-QPJJXVBHSA-N. The full InChI is InChI=1S/C8H12FNO/c1-6(11)8-3-7(4-9)5-10(8)2/h4,8H,3,5H2,1-2H3/b7-4+.
What are the key properties of 1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone?
1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone has a molecular weight of 157.19 g/mol, XLogP of 1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4E)-4-(fluoromethylidene)-1-methylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 58938888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).