2,7-dihydropyrrolizin-3-one

C7H7NO — CID 68565190

IUPAC2,7-dihydropyrrolizin-3-one
SMILESO=C1CC=C2CC=CN12
InChIInChI=1S/C7H7NO/c9-7-4-3-6-2-1-5-8(6)7/h1,3,5H,2,4H2
InChIKeyVUMGDQTWGFJYLG-UHFFFAOYSA-N
MW121.14 g/mol
LogP1.02
Rot. Bonds

About 2,7-dihydropyrrolizin-3-one

2,7-dihydropyrrolizin-3-one (PubChem CID 68565190) has the molecular formula C7H7NO and a molecular weight of 121.14 g/mol. Its IUPAC name is 2,7-dihydropyrrolizin-3-one.

Molecular Properties

Compound Name2,7-dihydropyrrolizin-3-one
PubChem CID68565190
Molecular FormulaC7H7NO
Molecular Weight121.14 g/mol
Exact Mass121.05
IUPAC Name2,7-dihydropyrrolizin-3-one
SMILESO=C1CC=C2CC=CN12
InChIInChI=1S/C7H7NO/c9-7-4-3-6-2-1-5-8(6)7/h1,3,5H,2,4H2
InChIKeyVUMGDQTWGFJYLG-UHFFFAOYSA-N
XLogP1.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,7-dihydropyrrolizin-3-one?
The IUPAC name of 2,7-dihydropyrrolizin-3-one (CID 68565190) is 2,7-dihydropyrrolizin-3-one.
What is the SMILES notation for 2,7-dihydropyrrolizin-3-one?
The canonical SMILES for 2,7-dihydropyrrolizin-3-one is O=C1CC=C2CC=CN12.
What is the InChIKey of 2,7-dihydropyrrolizin-3-one?
The InChIKey is VUMGDQTWGFJYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO/c9-7-4-3-6-2-1-5-8(6)7/h1,3,5H,2,4H2.
What are the key properties of 2,7-dihydropyrrolizin-3-one?
2,7-dihydropyrrolizin-3-one has a molecular weight of 121.14 g/mol, XLogP of 1.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydropyrrolizin-3-one is sourced from PubChem (CID 68565190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).