(8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one

C16H20F2N2O — CID 159886992

IUPAC(8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESCc1cncc(C2CC[C@@H]3CC(C)(C(C)(F)F)C(=O)N23)c1
InChIInChI=1S/C16H20F2N2O/c1-10-6-11(9-19-8-10)13-5-4-12-7-15(2,16(3,17)18)14(21)20(12)13/h6,8-9,12-13H,4-5,7H2,1-3H3/t12-,13?,15?/m1/s1
InChIKeyYOBQWCRYZIGCNN-DNOWBOINSA-N
MW294.35 g/mol
LogP3.49
Rot. Bonds2

About (8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one

(8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one (PubChem CID 159886992) has the molecular formula C16H20F2N2O and a molecular weight of 294.35 g/mol. Its IUPAC name is (8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one.

Molecular Properties

Compound Name(8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
PubChem CID159886992
Molecular FormulaC16H20F2N2O
Molecular Weight294.35 g/mol
Exact Mass294.15
IUPAC Name(8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
SMILESCc1cncc(C2CC[C@@H]3CC(C)(C(C)(F)F)C(=O)N23)c1
InChIInChI=1S/C16H20F2N2O/c1-10-6-11(9-19-8-10)13-5-4-12-7-15(2,16(3,17)18)14(21)20(12)13/h6,8-9,12-13H,4-5,7H2,1-3H3/t12-,13?,15?/m1/s1
InChIKeyYOBQWCRYZIGCNN-DNOWBOINSA-N
XLogP3.49
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
The IUPAC name of (8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one (CID 159886992) is (8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one.
What is the SMILES notation for (8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
The canonical SMILES for (8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one is Cc1cncc(C2CC[C@@H]3CC(C)(C(C)(F)F)C(=O)N23)c1.
What is the InChIKey of (8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
The InChIKey is YOBQWCRYZIGCNN-DNOWBOINSA-N. The full InChI is InChI=1S/C16H20F2N2O/c1-10-6-11(9-19-8-10)13-5-4-12-7-15(2,16(3,17)18)14(21)20(12)13/h6,8-9,12-13H,4-5,7H2,1-3H3/t12-,13?,15?/m1/s1.
What are the key properties of (8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one?
(8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one has a molecular weight of 294.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one is sourced from PubChem (CID 159886992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).