7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one

C10H14FNO — CID 175976038

IUPAC7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESCCC1C(=CF)CN2C(=O)CCC12
InChIInChI=1S/C10H14FNO/c1-2-8-7(5-11)6-12-9(8)3-4-10(12)13/h5,8-9H,2-4,6H2,1H3
InChIKeyNUFYKIUNCUMLLR-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.87
Rot. Bonds1

About 7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one

7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 175976038) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID175976038
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESCCC1C(=CF)CN2C(=O)CCC12
InChIInChI=1S/C10H14FNO/c1-2-8-7(5-11)6-12-9(8)3-4-10(12)13/h5,8-9H,2-4,6H2,1H3
InChIKeyNUFYKIUNCUMLLR-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of 7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one (CID 175976038) is 7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for 7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for 7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one is CCC1C(=CF)CN2C(=O)CCC12.
What is the InChIKey of 7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is NUFYKIUNCUMLLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-2-8-7(5-11)6-12-9(8)3-4-10(12)13/h5,8-9H,2-4,6H2,1H3.
What are the key properties of 7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 183.23 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-6-(fluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 175976038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).