3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one

C9H10FNO — CID 142365548

IUPAC3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one
SMILESC=CC1=C(C(=C)F)C(=O)N(C)C1
InChIInChI=1S/C9H10FNO/c1-4-7-5-11(3)9(12)8(7)6(2)10/h4H,1-2,5H2,3H3
InChIKeyLZNNSVRYEVQJHM-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.42
Rot. Bonds2

About 3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one

3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one (PubChem CID 142365548) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one
PubChem CID142365548
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one
SMILESC=CC1=C(C(=C)F)C(=O)N(C)C1
InChIInChI=1S/C9H10FNO/c1-4-7-5-11(3)9(12)8(7)6(2)10/h4H,1-2,5H2,3H3
InChIKeyLZNNSVRYEVQJHM-UHFFFAOYSA-N
XLogP1.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one?
The IUPAC name of 3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one (CID 142365548) is 3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one.
What is the SMILES notation for 3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one?
The canonical SMILES for 3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one is C=CC1=C(C(=C)F)C(=O)N(C)C1.
What is the InChIKey of 3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one?
The InChIKey is LZNNSVRYEVQJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-4-7-5-11(3)9(12)8(7)6(2)10/h4H,1-2,5H2,3H3.
What are the key properties of 3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one?
3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one has a molecular weight of 167.18 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-4-(1-fluoroethenyl)-1-methyl-2H-pyrrol-5-one is sourced from PubChem (CID 142365548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).