(8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one

C8H9F2NO — CID 175973503

IUPAC(8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESO=C1CC[C@H]2CC(=C(F)F)CN12
InChIInChI=1S/C8H9F2NO/c9-8(10)5-3-6-1-2-7(12)11(6)4-5/h6H,1-4H2/t6-/m0/s1
InChIKeyNNCSQQZPAOGTAA-LURJTMIESA-N
MW173.16 g/mol
LogP1.53
Rot. Bonds

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

(8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 175973503) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is (8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID175973503
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name(8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESO=C1CC[C@H]2CC(=C(F)F)CN12
InChIInChI=1S/C8H9F2NO/c9-8(10)5-3-6-1-2-7(12)11(6)4-5/h6H,1-4H2/t6-/m0/s1
InChIKeyNNCSQQZPAOGTAA-LURJTMIESA-N
XLogP1.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one (CID 175973503) is (8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one is O=C1CC[C@H]2CC(=C(F)F)CN12.
What is the InChIKey of (8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is NNCSQQZPAOGTAA-LURJTMIESA-N. The full InChI is InChI=1S/C8H9F2NO/c9-8(10)5-3-6-1-2-7(12)11(6)4-5/h6H,1-4H2/t6-/m0/s1.
What are the key properties of (8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
(8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 173.16 g/mol, XLogP of 1.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-6-(difluoromethylidene)-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 175973503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).