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

C10H13F2NO — CID 175974562

IUPAC(7S)-6-(difluoromethylidene)-7-ethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESCC[C@H]1C(=C(F)F)CN2C(=O)CCC12
InChIInChI=1S/C10H13F2NO/c1-2-6-7(10(11)12)5-13-8(6)3-4-9(13)14/h6,8H,2-5H2,1H3/t6-,8?/m0/s1
InChIKeyTXULEXMOAAIFRI-UUEFVBAFSA-N
MW201.22 g/mol
LogP2.17
Rot. Bonds1

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

(7S)-6-(difluoromethylidene)-7-ethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 175974562) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is (7S)-6-(difluoromethylidene)-7-ethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(7S)-6-(difluoromethylidene)-7-ethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID175974562
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(7S)-6-(difluoromethylidene)-7-ethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESCC[C@H]1C(=C(F)F)CN2C(=O)CCC12
InChIInChI=1S/C10H13F2NO/c1-2-6-7(10(11)12)5-13-8(6)3-4-9(13)14/h6,8H,2-5H2,1H3/t6-,8?/m0/s1
InChIKeyTXULEXMOAAIFRI-UUEFVBAFSA-N
XLogP2.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7S)-6-(difluoromethylidene)-7-ethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (7S)-6-(difluoromethylidene)-7-ethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one (CID 175974562) is (7S)-6-(difluoromethylidene)-7-ethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (7S)-6-(difluoromethylidene)-7-ethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (7S)-6-(difluoromethylidene)-7-ethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one is CC[C@H]1C(=C(F)F)CN2C(=O)CCC12.
What is the InChIKey of (7S)-6-(difluoromethylidene)-7-ethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is TXULEXMOAAIFRI-UUEFVBAFSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-2-6-7(10(11)12)5-13-8(6)3-4-9(13)14/h6,8H,2-5H2,1H3/t6-,8?/m0/s1.
What are the key properties of (7S)-6-(difluoromethylidene)-7-ethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one?
(7S)-6-(difluoromethylidene)-7-ethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 201.22 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-6-(difluoromethylidene)-7-ethyl-2,5,7,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 175974562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).