1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one

C7H11NO — CID 57268905

IUPAC1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one
SMILESCCC(=O)C1C=CCN1
InChIInChI=1S/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h3-4,6,8H,2,5H2,1H3
InChIKeyTZBINTSOTGDACP-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.49
Rot. Bonds2

About 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one

1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one (PubChem CID 57268905) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one
PubChem CID57268905
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one
SMILESCCC(=O)C1C=CCN1
InChIInChI=1S/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h3-4,6,8H,2,5H2,1H3
InChIKeyTZBINTSOTGDACP-UHFFFAOYSA-N
XLogP0.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(prop-2-enylamino)hept-6-en-3-one
CID 51003257
2-Acetyl-3-pyrroline
CID 12988591
(E,3S)-6,6,6-trifluoro-3-(methylamino)hex-4-en-2-one
CID 59431998
2-Ethenylpyrrolidin-3-one
CID 13710308
1-(2,5-dihydro-1H-pyrrol-2-yl)-2,2,2-trifluoroethanone
CID 101265266
1-(1,2,3,6-Tetrahydropyridin-2-yl)propan-1-one
CID 20036996
2-methyl-2,6-dihydro-1H-pyridin-3-one
CID 20062234
2-(Dimethylamino)cyclopent-3-en-1-one
CID 23015503
1-(1,2,3,6-Tetrahydropyridin-2-yl)ethanone
CID 23523876
(Z)-3-(methylamino)oct-6-en-4-one
CID 53826290
3-(Methylamino)pent-4-en-2-one
CID 57495504
1-[(2S)-2,5-dihydro-1H-pyrrol-2-yl]ethanone
CID 57539571

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one?
The IUPAC name of 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one (CID 57268905) is 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one.
What is the SMILES notation for 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one?
The canonical SMILES for 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one is CCC(=O)C1C=CCN1.
What is the InChIKey of 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one?
The InChIKey is TZBINTSOTGDACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-7(9)6-4-3-5-8-6/h3-4,6,8H,2,5H2,1H3.
What are the key properties of 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one?
1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one has a molecular weight of 125.17 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dihydro-1H-pyrrol-2-yl)propan-1-one is sourced from PubChem (CID 57268905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).