1-(2,3-dihydropyrrol-1-yl)ethanone

C6H9NO — CID 10909522

IUPAC1-(2,3-dihydropyrrol-1-yl)ethanone
SMILESCC(=O)N1C=CCC1
InChIInChI=1S/C6H9NO/c1-6(8)7-4-2-3-5-7/h2,4H,3,5H2,1H3
InChIKeyCMFWLOPIOWBYCM-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.75
Rot. Bonds

About 1-(2,3-dihydropyrrol-1-yl)ethanone

1-(2,3-dihydropyrrol-1-yl)ethanone (PubChem CID 10909522) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1-(2,3-dihydropyrrol-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydropyrrol-1-yl)ethanone
PubChem CID10909522
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1-(2,3-dihydropyrrol-1-yl)ethanone
SMILESCC(=O)N1C=CCC1
InChIInChI=1S/C6H9NO/c1-6(8)7-4-2-3-5-7/h2,4H,3,5H2,1H3
InChIKeyCMFWLOPIOWBYCM-UHFFFAOYSA-N
XLogP0.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrrol-1-yl)ethanone?
The IUPAC name of 1-(2,3-dihydropyrrol-1-yl)ethanone (CID 10909522) is 1-(2,3-dihydropyrrol-1-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydropyrrol-1-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydropyrrol-1-yl)ethanone is CC(=O)N1C=CCC1.
What is the InChIKey of 1-(2,3-dihydropyrrol-1-yl)ethanone?
The InChIKey is CMFWLOPIOWBYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-6(8)7-4-2-3-5-7/h2,4H,3,5H2,1H3.
What are the key properties of 1-(2,3-dihydropyrrol-1-yl)ethanone?
1-(2,3-dihydropyrrol-1-yl)ethanone has a molecular weight of 111.14 g/mol, XLogP of 0.75, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrrol-1-yl)ethanone is sourced from PubChem (CID 10909522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).