1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

C18H22N2O2 — CID 96569870

IUPAC1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC[C@@H]1CN(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C18H22N2O2/c21-17-6-3-10-19(17)11-9-14-12-20(18(22)13-7-8-13)16-5-2-1-4-15(14)16/h1-2,4-5,13-14H,3,6-12H2/t14-/m1/s1
InChIKeyQVVXZXGBZNUDPN-CQSZACIVSA-N
MW298.39 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one

1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (PubChem CID 96569870) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
PubChem CID96569870
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC[C@@H]1CN(C(=O)C2CC2)c2ccccc21
InChIInChI=1S/C18H22N2O2/c21-17-6-3-10-19(17)11-9-14-12-20(18(22)13-7-8-13)16-5-2-1-4-15(14)16/h1-2,4-5,13-14H,3,6-12H2/t14-/m1/s1
InChIKeyQVVXZXGBZNUDPN-CQSZACIVSA-N
XLogP2.54
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(2-oxopyrrolidin-1-yl)ethyl]-N-prop-2-ynyl-2,3-dihydroindole-1-carboxamide
CID 71975520
1-[2-[(3R)-1-[(3S)-morpholine-3-carbonyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124702543
1-[2-[(3S)-1-[(2R)-morpholine-2-carbonyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124619896
N-(4-hydroxy-2,3-dihydro-1H-inden-2-yl)-3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindole-1-carboxamide
CID 167805124
1-[2-[(3R)-1-(5-methyl-1H-pyrazole-3-carbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96570582
1-[2-[(3S)-1-[2-[[(2R)-oxolan-2-yl]methylamino]acetyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124702502
1-[2-[(3R)-1-[2-[[(2S)-oxolan-2-yl]methylamino]acetyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 124702530
1-[2-[(3S)-1-methylsulfonyl-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 96567308
N,N-dimethyl-2-[[[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]-(prop-2-enylamino)methylidene]amino]acetamide
CID 110043385
1-[2-[(3S)-1-[(3S)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 100666548
1-[2-[(3R)-1-[(3S)-3-methyl-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one
CID 100666529
2-[[ethylamino-[3-[2-(2-oxopyrrolidin-1-yl)ethyl]-2,3-dihydroindol-1-yl]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043376

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one (CID 96569870) is 1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CC[C@@H]1CN(C(=O)C2CC2)c2ccccc21.
What is the InChIKey of 1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
The InChIKey is QVVXZXGBZNUDPN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-17-6-3-10-19(17)11-9-14-12-20(18(22)13-7-8-13)16-5-2-1-4-15(14)16/h1-2,4-5,13-14H,3,6-12H2/t14-/m1/s1.
What are the key properties of 1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one?
1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one has a molecular weight of 298.39 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-1-(cyclopropanecarbonyl)-2,3-dihydroindol-3-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 96569870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).