2,7,8,8a-tetrahydro-1H-indolizin-3-one

C8H11NO — CID 12710059

IUPAC2,7,8,8a-tetrahydro-1H-indolizin-3-one
SMILESO=C1CCC2CCC=CN12
InChIInChI=1S/C8H11NO/c10-8-5-4-7-3-1-2-6-9(7)8/h2,6-7H,1,3-5H2
InChIKeyHFRZSNMRCDXBMM-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.28
Rot. Bonds

About 2,7,8,8a-tetrahydro-1H-indolizin-3-one

2,7,8,8a-tetrahydro-1H-indolizin-3-one (PubChem CID 12710059) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 2,7,8,8a-tetrahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name2,7,8,8a-tetrahydro-1H-indolizin-3-one
PubChem CID12710059
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name2,7,8,8a-tetrahydro-1H-indolizin-3-one
SMILESO=C1CCC2CCC=CN12
InChIInChI=1S/C8H11NO/c10-8-5-4-7-3-1-2-6-9(7)8/h2,6-7H,1,3-5H2
InChIKeyHFRZSNMRCDXBMM-UHFFFAOYSA-N
XLogP1.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7,8,8a-tetrahydro-1H-indolizin-3-one?
The IUPAC name of 2,7,8,8a-tetrahydro-1H-indolizin-3-one (CID 12710059) is 2,7,8,8a-tetrahydro-1H-indolizin-3-one.
What is the SMILES notation for 2,7,8,8a-tetrahydro-1H-indolizin-3-one?
The canonical SMILES for 2,7,8,8a-tetrahydro-1H-indolizin-3-one is O=C1CCC2CCC=CN12.
What is the InChIKey of 2,7,8,8a-tetrahydro-1H-indolizin-3-one?
The InChIKey is HFRZSNMRCDXBMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c10-8-5-4-7-3-1-2-6-9(7)8/h2,6-7H,1,3-5H2.
What are the key properties of 2,7,8,8a-tetrahydro-1H-indolizin-3-one?
2,7,8,8a-tetrahydro-1H-indolizin-3-one has a molecular weight of 137.18 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7,8,8a-tetrahydro-1H-indolizin-3-one is sourced from PubChem (CID 12710059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).