1-pyrrol-1-ylazetidin-2-one

C7H8N2O — CID 138857984

IUPAC1-pyrrol-1-ylazetidin-2-one
SMILESO=C1CCN1n1cccc1
InChIInChI=1S/C7H8N2O/c10-7-3-6-9(7)8-4-1-2-5-8/h1-2,4-5H,3,6H2
InChIKeyFAIBWIWNAQIPKE-UHFFFAOYSA-N
MW136.15 g/mol
LogP0.36
Rot. Bonds1

About 1-pyrrol-1-ylazetidin-2-one

1-pyrrol-1-ylazetidin-2-one (PubChem CID 138857984) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is 1-pyrrol-1-ylazetidin-2-one.

Molecular Properties

Compound Name1-pyrrol-1-ylazetidin-2-one
PubChem CID138857984
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name1-pyrrol-1-ylazetidin-2-one
SMILESO=C1CCN1n1cccc1
InChIInChI=1S/C7H8N2O/c10-7-3-6-9(7)8-4-1-2-5-8/h1-2,4-5H,3,6H2
InChIKeyFAIBWIWNAQIPKE-UHFFFAOYSA-N
XLogP0.36
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 18352167
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Frequently Asked Questions

What is the IUPAC name of 1-pyrrol-1-ylazetidin-2-one?
The IUPAC name of 1-pyrrol-1-ylazetidin-2-one (CID 138857984) is 1-pyrrol-1-ylazetidin-2-one.
What is the SMILES notation for 1-pyrrol-1-ylazetidin-2-one?
The canonical SMILES for 1-pyrrol-1-ylazetidin-2-one is O=C1CCN1n1cccc1.
What is the InChIKey of 1-pyrrol-1-ylazetidin-2-one?
The InChIKey is FAIBWIWNAQIPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O/c10-7-3-6-9(7)8-4-1-2-5-8/h1-2,4-5H,3,6H2.
What are the key properties of 1-pyrrol-1-ylazetidin-2-one?
1-pyrrol-1-ylazetidin-2-one has a molecular weight of 136.15 g/mol, XLogP of 0.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrol-1-ylazetidin-2-one is sourced from PubChem (CID 138857984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).