[(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone

C17H19ClN2O2 — CID 97079067

IUPAC[(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone
SMILESO=C([C@@H]1CCCN1C(=O)C1CC1)N1CCc2c(Cl)cccc21
InChIInChI=1S/C17H19ClN2O2/c18-13-3-1-4-14-12(13)8-10-20(14)17(22)15-5-2-9-19(15)16(21)11-6-7-11/h1,3-4,11,15H,2,5-10H2/t15-/m0/s1
InChIKeyXXNLSSKIDUPBRZ-HNNXBMFYSA-N
MW318.80 g/mol
LogP2.63
Rot. Bonds2

About [(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone

[(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone (PubChem CID 97079067) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is [(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone
PubChem CID97079067
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name[(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone
SMILESO=C([C@@H]1CCCN1C(=O)C1CC1)N1CCc2c(Cl)cccc21
InChIInChI=1S/C17H19ClN2O2/c18-13-3-1-4-14-12(13)8-10-20(14)17(22)15-5-2-9-19(15)16(21)11-6-7-11/h1,3-4,11,15H,2,5-10H2/t15-/m0/s1
InChIKeyXXNLSSKIDUPBRZ-HNNXBMFYSA-N
XLogP2.63
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclopentyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119788761
(3-aminocyclohexyl)-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 119788766
2-amino-1-(4-chloro-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119326597
(2S)-2-(4-cyclopropyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carbonitrile
CID 140885139
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-chloro-2,3-dihydroindol-1-yl)methanone
CID 120793592
2-[4-(5-cyano-1H-pyrazol-4-yl)-2,3-dihydroindole-1-carbonyl]pyrrolidine-1-carboxylic acid
CID 135205672
tert-butyl (2S)-2-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidine-1-carboxylate
CID 140885141
(4-bromo-2,3-dihydroindol-1-yl)-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]methanone
CID 174895884
(2-benzoylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110394860
4-[2-(2-chlorophenyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674060
(2S)-N-(4-chlorophenyl)-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 110286201
[(2R)-1-benzoylpiperidin-2-yl]-(5-chloro-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 124758497

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone?
The IUPAC name of [(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone (CID 97079067) is [(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone.
What is the SMILES notation for [(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone?
The canonical SMILES for [(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone is O=C([C@@H]1CCCN1C(=O)C1CC1)N1CCc2c(Cl)cccc21.
What is the InChIKey of [(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone?
The InChIKey is XXNLSSKIDUPBRZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-13-3-1-4-14-12(13)8-10-20(14)17(22)15-5-2-9-19(15)16(21)11-6-7-11/h1,3-4,11,15H,2,5-10H2/t15-/m0/s1.
What are the key properties of [(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone?
[(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone has a molecular weight of 318.80 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(4-chloro-2,3-dihydroindole-1-carbonyl)pyrrolidin-1-yl]-cyclopropylmethanone is sourced from PubChem (CID 97079067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).