2H-indolizin-3-one

C8H7NO — CID 19815254

IUPAC2H-indolizin-3-one
SMILESO=C1CC=C2C=CC=CN12
InChIInChI=1S/C8H7NO/c10-8-5-4-7-3-1-2-6-9(7)8/h1-4,6H,5H2
InChIKeyQDNNISJAQRZZQV-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.19
Rot. Bonds

About 2H-indolizin-3-one

2H-indolizin-3-one (PubChem CID 19815254) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is 2H-indolizin-3-one.

Molecular Properties

Compound Name2H-indolizin-3-one
PubChem CID19815254
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name2H-indolizin-3-one
SMILESO=C1CC=C2C=CC=CN12
InChIInChI=1S/C8H7NO/c10-8-5-4-7-3-1-2-6-9(7)8/h1-4,6H,5H2
InChIKeyQDNNISJAQRZZQV-UHFFFAOYSA-N
XLogP1.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2H-indolizin-3-one?
The IUPAC name of 2H-indolizin-3-one (CID 19815254) is 2H-indolizin-3-one.
What is the SMILES notation for 2H-indolizin-3-one?
The canonical SMILES for 2H-indolizin-3-one is O=C1CC=C2C=CC=CN12.
What is the InChIKey of 2H-indolizin-3-one?
The InChIKey is QDNNISJAQRZZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO/c10-8-5-4-7-3-1-2-6-9(7)8/h1-4,6H,5H2.
What are the key properties of 2H-indolizin-3-one?
2H-indolizin-3-one has a molecular weight of 133.15 g/mol, XLogP of 1.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-indolizin-3-one is sourced from PubChem (CID 19815254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).