(8aR)-8,8a-dihydro-7H-indolizin-3-one

C8H9NO — CID 11344048

IUPAC(8aR)-8,8a-dihydro-7H-indolizin-3-one
SMILESO=C1C=C[C@H]2CCC=CN12
InChIInChI=1S/C8H9NO/c10-8-5-4-7-3-1-2-6-9(7)8/h2,4-7H,1,3H2/t7-/m1/s1
InChIKeyMQMKHOKPJWNKJA-SSDOTTSWSA-N
MW135.17 g/mol
LogP1.06
Rot. Bonds

About (8aR)-8,8a-dihydro-7H-indolizin-3-one

(8aR)-8,8a-dihydro-7H-indolizin-3-one (PubChem CID 11344048) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is (8aR)-8,8a-dihydro-7H-indolizin-3-one.

Molecular Properties

Compound Name(8aR)-8,8a-dihydro-7H-indolizin-3-one
PubChem CID11344048
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name(8aR)-8,8a-dihydro-7H-indolizin-3-one
SMILESO=C1C=C[C@H]2CCC=CN12
InChIInChI=1S/C8H9NO/c10-8-5-4-7-3-1-2-6-9(7)8/h2,4-7H,1,3H2/t7-/m1/s1
InChIKeyMQMKHOKPJWNKJA-SSDOTTSWSA-N
XLogP1.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (8aR)-8,8a-dihydro-7H-indolizin-3-one?
The IUPAC name of (8aR)-8,8a-dihydro-7H-indolizin-3-one (CID 11344048) is (8aR)-8,8a-dihydro-7H-indolizin-3-one.
What is the SMILES notation for (8aR)-8,8a-dihydro-7H-indolizin-3-one?
The canonical SMILES for (8aR)-8,8a-dihydro-7H-indolizin-3-one is O=C1C=C[C@H]2CCC=CN12.
What is the InChIKey of (8aR)-8,8a-dihydro-7H-indolizin-3-one?
The InChIKey is MQMKHOKPJWNKJA-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H9NO/c10-8-5-4-7-3-1-2-6-9(7)8/h2,4-7H,1,3H2/t7-/m1/s1.
What are the key properties of (8aR)-8,8a-dihydro-7H-indolizin-3-one?
(8aR)-8,8a-dihydro-7H-indolizin-3-one has a molecular weight of 135.17 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-8,8a-dihydro-7H-indolizin-3-one is sourced from PubChem (CID 11344048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).