1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone

C7H11NO — CID 67320697

IUPAC1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone
SMILESCC(=O)C1=NCCC1C
InChIInChI=1S/C7H11NO/c1-5-3-4-8-7(5)6(2)9/h5H,3-4H2,1-2H3
InChIKeyFABQLDMZSJBPQW-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.06
Rot. Bonds1

About 1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone

1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone (PubChem CID 67320697) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone
PubChem CID67320697
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone
SMILESCC(=O)C1=NCCC1C
InChIInChI=1S/C7H11NO/c1-5-3-4-8-7(5)6(2)9/h5H,3-4H2,1-2H3
InChIKeyFABQLDMZSJBPQW-UHFFFAOYSA-N
XLogP1.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone?
The IUPAC name of 1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone (CID 67320697) is 1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone.
What is the SMILES notation for 1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone?
The canonical SMILES for 1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone is CC(=O)C1=NCCC1C.
What is the InChIKey of 1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone?
The InChIKey is FABQLDMZSJBPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-3-4-8-7(5)6(2)9/h5H,3-4H2,1-2H3.
What are the key properties of 1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone?
1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone has a molecular weight of 125.17 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)ethanone is sourced from PubChem (CID 67320697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).