1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone

C14H14N2O — CID 3245732

IUPAC1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
SMILESO=C(Cn1cccc1)N1CCc2ccccc21
InChIInChI=1S/C14H14N2O/c17-14(11-15-8-3-4-9-15)16-10-7-12-5-1-2-6-13(12)16/h1-6,8-9H,7,10-11H2
InChIKeyUCZLUKDCARVFBT-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.08
Rot. Bonds2

About 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone

1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone (PubChem CID 3245732) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
PubChem CID3245732
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone
SMILESO=C(Cn1cccc1)N1CCc2ccccc21
InChIInChI=1S/C14H14N2O/c17-14(11-15-8-3-4-9-15)16-10-7-12-5-1-2-6-13(12)16/h1-6,8-9H,7,10-11H2
InChIKeyUCZLUKDCARVFBT-UHFFFAOYSA-N
XLogP2.08
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
1-(2,3-dihydroindol-1-yl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethoxy]ethanone
CID 3405769
1-(2,3-dihydroindol-1-yl)-2-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 171326862
2-(2,3-dihydroindol-1-yl)-2-oxoethanesulfonyl chloride
CID 99980595
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]indole-2,3-dione
CID 2207715
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
methyl 3-(2,3-dihydroindol-1-yl)-3-oxopropanoate
CID 8990559
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-N,4-N-di(propan-2-yl)pyrrole-3,4-disulfonamide
CID 20927512
1-(2,3-dihydroindol-1-yl)-2-[(2S,6S)-4-hydroxy-2,6-dimethylpiperidin-1-yl]ethanone
CID 99778930

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone (CID 3245732) is 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone is O=C(Cn1cccc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone?
The InChIKey is UCZLUKDCARVFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14(11-15-8-3-4-9-15)16-10-7-12-5-1-2-6-13(12)16/h1-6,8-9H,7,10-11H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone?
1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone has a molecular weight of 226.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-pyrrol-1-ylethanone is sourced from PubChem (CID 3245732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).