1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone

C6H9NO — CID 91348644

IUPAC1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone
SMILESCC(=O)C1C=NCC1
InChIInChI=1S/C6H9NO/c1-5(8)6-2-3-7-4-6/h4,6H,2-3H2,1H3
InChIKeyWOEKFJDMRICGNL-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.67
Rot. Bonds1

About 1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone

1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone (PubChem CID 91348644) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone
PubChem CID91348644
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone
SMILESCC(=O)C1C=NCC1
InChIInChI=1S/C6H9NO/c1-5(8)6-2-3-7-4-6/h4,6H,2-3H2,1H3
InChIKeyWOEKFJDMRICGNL-UHFFFAOYSA-N
XLogP0.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Acetyl-1-pyrroline
CID 124095334
1-(2,3,4,5-Tetrahydropyridin-4-yl)ethanone
CID 53752699
4-methyl-4,5-dihydro-2H-pyridin-3-one
CID 57312387
4-methyl-3,4-dihydro-2H-pyridin-5-one
CID 67075998
5-(2-Ethylpentylideneamino)pentan-2-one
CID 90725456
3-methyl-3,4-dihydro-2H-pyridin-5-one
CID 91349977
1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one
CID 91419936
3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one
CID 91451660
5-methyl-4,5-dihydro-2H-pyridin-3-one
CID 91467008
5-(Ethylideneamino)pentan-2-one
CID 123813903
1-(3-Methyl-2,4-dihydropyrrol-3-yl)ethanone
CID 123903491
3-Ethyl-3,4-dihydropyrrol-2-one
CID 172220183

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone (CID 91348644) is 1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone is CC(=O)C1C=NCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone?
The InChIKey is WOEKFJDMRICGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-5(8)6-2-3-7-4-6/h4,6H,2-3H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone?
1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone has a molecular weight of 111.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone is sourced from PubChem (CID 91348644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).