4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one

C10H14FNO — CID 146620664

IUPAC4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one
SMILESCC(C)=C(F)C1=C(C)CN(C)C1=O
InChIInChI=1S/C10H14FNO/c1-6(2)9(11)8-7(3)5-12(4)10(8)13/h5H2,1-4H3
InChIKeyZOXUCZNIBCYEJN-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.04
Rot. Bonds1

About 4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one

4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one (PubChem CID 146620664) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one
PubChem CID146620664
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one
SMILESCC(C)=C(F)C1=C(C)CN(C)C1=O
InChIInChI=1S/C10H14FNO/c1-6(2)9(11)8-7(3)5-12(4)10(8)13/h5H2,1-4H3
InChIKeyZOXUCZNIBCYEJN-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one?
The IUPAC name of 4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one (CID 146620664) is 4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for 4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one is CC(C)=C(F)C1=C(C)CN(C)C1=O.
What is the InChIKey of 4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one?
The InChIKey is ZOXUCZNIBCYEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-6(2)9(11)8-7(3)5-12(4)10(8)13/h5H2,1-4H3.
What are the key properties of 4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one?
4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one has a molecular weight of 183.23 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoro-2-methylprop-1-enyl)-1,3-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 146620664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).