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

C7H11NO — CID 91419936

IUPAC1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one
SMILESCCC(=O)C1C=NCC1
InChIInChI=1S/C7H11NO/c1-2-7(9)6-3-4-8-5-6/h5-6H,2-4H2,1H3
InChIKeyRIAZAVNRAYLQKV-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.06
Rot. Bonds2

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

1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one (PubChem CID 91419936) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one
PubChem CID91419936
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one
SMILESCCC(=O)C1C=NCC1
InChIInChI=1S/C7H11NO/c1-2-7(9)6-3-4-8-5-6/h5-6H,2-4H2,1H3
InChIKeyRIAZAVNRAYLQKV-UHFFFAOYSA-N
XLogP1.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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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Related Compounds

4-Acetyl-1-pyrroline
CID 124095334
1-(2,3,4,5-Tetrahydropyridin-5-yl)ethanone
CID 53636822
1-(2,3,4,5-Tetrahydropyridin-4-yl)ethanone
CID 53752699
2,3-dimethyl-3,5-dihydro-2H-pyridin-4-one
CID 54234304
4-methyl-4,5-dihydro-2H-pyridin-3-one
CID 57312387
2-(Methyliminomethyl)cyclopentan-1-one
CID 58502664
4-methyl-3,4-dihydro-2H-pyridin-5-one
CID 67075998
5-(2-Ethylpentylideneamino)pentan-2-one
CID 90725456
1-(3,4-dihydro-2H-pyrrol-4-yl)ethanone
CID 91348644
3-methyl-3,4-dihydro-2H-pyridin-5-one
CID 91349977
3,4-dimethyl-3,4-dihydro-2H-pyridin-5-one
CID 91451660
5-methyl-4,5-dihydro-2H-pyridin-3-one
CID 91467008

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one (CID 91419936) is 1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one is CCC(=O)C1C=NCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one?
The InChIKey is RIAZAVNRAYLQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-7(9)6-3-4-8-5-6/h5-6H,2-4H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one?
1-(3,4-dihydro-2H-pyrrol-4-yl)propan-1-one has a molecular weight of 125.17 g/mol, XLogP of 1.06, 2 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)propan-1-one is sourced from PubChem (CID 91419936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).