(7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C8H12FNO — CID 45090648

IUPAC(7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1CC[C@@H]2C[C@@H](F)CCN12
InChIInChI=1S/C8H12FNO/c9-6-3-4-10-7(5-6)1-2-8(10)11/h6-7H,1-5H2/t6-,7+/m0/s1
InChIKeyJHGUMTGYRXNWMQ-NKWVEPMBSA-N
MW157.19 g/mol
LogP1.11
Rot. Bonds

About (7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

(7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 45090648) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is (7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name(7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID45090648
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC Name(7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILESO=C1CC[C@@H]2C[C@@H](F)CCN12
InChIInChI=1S/C8H12FNO/c9-6-3-4-10-7(5-6)1-2-8(10)11/h6-7H,1-5H2/t6-,7+/m0/s1
InChIKeyJHGUMTGYRXNWMQ-NKWVEPMBSA-N
XLogP1.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The IUPAC name of (7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 45090648) is (7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.
What is the SMILES notation for (7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The canonical SMILES for (7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is O=C1CC[C@@H]2C[C@@H](F)CCN12.
What is the InChIKey of (7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
The InChIKey is JHGUMTGYRXNWMQ-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H12FNO/c9-6-3-4-10-7(5-6)1-2-8(10)11/h6-7H,1-5H2/t6-,7+/m0/s1.
What are the key properties of (7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?
(7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 157.19 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8aR)-7-fluoro-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 45090648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).