[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone

C18H22N2O2 — CID 108971730

IUPAC[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESCC1Cc2ccccc2N1C(=O)C1(C(=O)N2CCCC2)CC1
InChIInChI=1S/C18H22N2O2/c1-13-12-14-6-2-3-7-15(14)20(13)17(22)18(8-9-18)16(21)19-10-4-5-11-19/h2-3,6-7,13H,4-5,8-12H2,1H3
InChIKeyLCMLEZKDMZOPCV-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.37
Rot. Bonds2

About [1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone

[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone (PubChem CID 108971730) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is [1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
PubChem CID108971730
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone
SMILESCC1Cc2ccccc2N1C(=O)C1(C(=O)N2CCCC2)CC1
InChIInChI=1S/C18H22N2O2/c1-13-12-14-6-2-3-7-15(14)20(13)17(22)18(8-9-18)16(21)19-10-4-5-11-19/h2-3,6-7,13H,4-5,8-12H2,1H3
InChIKeyLCMLEZKDMZOPCV-UHFFFAOYSA-N
XLogP2.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxylic acid
CID 55034928
3,4-dihydro-2H-quinolin-1-yl-[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]methanone
CID 108981201
2,2-dimethyl-1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958516
N-cycloheptyl-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108979533
1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopentane-1-carbonitrile
CID 60677912
N-(4-fluorophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108982421
N-(4-bromophenyl)-1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropane-1-carboxamide
CID 108982936
(2-methyl-2,3-dihydroindol-1-yl)-(3-methylpiperidin-3-yl)methanone
CID 63132696
(4-aminooxan-4-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 115293542
(1-amino-3-methylcyclohexyl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 64549601
(2-ethylpyrrolidin-2-yl)-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 83080337
azepan-1-yl-[1-(3,4-dihydro-2H-quinoline-1-carbonyl)cyclopropyl]methanone
CID 108980420

Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone (CID 108971730) is [1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone is CC1Cc2ccccc2N1C(=O)C1(C(=O)N2CCCC2)CC1.
What is the InChIKey of [1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone?
The InChIKey is LCMLEZKDMZOPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-12-14-6-2-3-7-15(14)20(13)17(22)18(8-9-18)16(21)19-10-4-5-11-19/h2-3,6-7,13H,4-5,8-12H2,1H3.
What are the key properties of [1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone?
[1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone has a molecular weight of 298.39 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-2,3-dihydroindole-1-carbonyl)cyclopropyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 108971730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).