1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one

C16H22N2O — CID 82256372

IUPAC1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C(=O)c1ccc2c(c1)CCN2)N1CCCC1
InChIInChI=1S/C16H22N2O/c1-2-15(18-9-3-4-10-18)16(19)13-5-6-14-12(11-13)7-8-17-14/h5-6,11,15,17H,2-4,7-10H2,1H3
InChIKeyZIZZJSXKCCZAOC-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.71
Rot. Bonds4

About 1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one

1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one (PubChem CID 82256372) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one
PubChem CID82256372
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C(=O)c1ccc2c(c1)CCN2)N1CCCC1
InChIInChI=1S/C16H22N2O/c1-2-15(18-9-3-4-10-18)16(19)13-5-6-14-12(11-13)7-8-17-14/h5-6,11,15,17H,2-4,7-10H2,1H3
InChIKeyZIZZJSXKCCZAOC-UHFFFAOYSA-N
XLogP2.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-diazepan-1-yl)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one
CID 82256390
1-(2,3-dihydro-1H-indol-5-yl)-2-piperazin-1-ylbutan-1-one
CID 82256389
2-[bis(prop-2-enyl)amino]-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one
CID 82256376
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
2-(benzylamino)-1-(2,3-dihydro-1H-indol-5-yl)butan-1-one
CID 82257869
1-(2,3-dihydro-1H-indol-5-yl)-3-methylhexan-1-one
CID 116554160
1-(2,3-dihydro-1H-indol-5-yl)-2-(2,6-dimethylpiperidin-1-yl)propan-1-one
CID 82102465
1-(2,3-dihydro-1H-indol-5-yl)-2-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 82102458
2-[[1-(2,3-dihydro-1H-indol-5-yl)-1-oxopropan-2-yl]amino]-3-methylpentanoic acid
CID 82257846
2,3-dihydro-1H-indol-5-yl-[(2S)-2-ethylpyrrolidin-1-yl]methanone
CID 93394367
2,3-dihydro-1H-indol-5-yl-(2-ethylpyrrolidin-1-yl)methanone
CID 54886081
1-(2,3-dihydro-1H-indol-5-yl)pentan-1-one
CID 39163742

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one (CID 82256372) is 1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one is CCC(C(=O)c1ccc2c(c1)CCN2)N1CCCC1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one?
The InChIKey is ZIZZJSXKCCZAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-15(18-9-3-4-10-18)16(19)13-5-6-14-12(11-13)7-8-17-14/h5-6,11,15,17H,2-4,7-10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one?
1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one has a molecular weight of 258.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-5-yl)-2-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 82256372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).