1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

C21H27N3O3 — CID 53155840

IUPAC1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1
InChIInChI=1S/C21H27N3O3/c1-13(2)11-22-20(26)16-10-19(25)24(12-16)17-5-6-18-15(9-17)7-8-23(18)21(27)14-3-4-14/h5-6,9,13-14,16H,3-4,7-8,10-12H2,1-2H3,(H,22,26)
InChIKeyKMRJLRYPERNLAF-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.11
Rot. Bonds5

About 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide

1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 53155840) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID53155840
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(C)CNC(=O)C1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1
InChIInChI=1S/C21H27N3O3/c1-13(2)11-22-20(26)16-10-19(25)24(12-16)17-5-6-18-15(9-17)7-8-23(18)21(27)14-3-4-14/h5-6,9,13-14,16H,3-4,7-8,10-12H2,1-2H3,(H,22,26)
InChIKeyKMRJLRYPERNLAF-UHFFFAOYSA-N
XLogP2.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95098696
(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 95098736
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 53155852
(3S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098694
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 53155815
(3S)-1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098830
(3R)-N-(cyclopropylmethyl)-5-oxo-1-(1-propanoyl-2,3-dihydroindol-5-yl)pyrrolidine-3-carboxamide
CID 95098669
(3S)-N-(1,3-benzodioxol-5-ylmethyl)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95098722
(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098793
1-(1-acetyl-2,3-dihydroindol-5-yl)-N-butan-2-yl-5-oxopyrrolidine-3-carboxamide
CID 53155620
(4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95098786
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-fluoro-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155837

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide (CID 53155840) is 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is CC(C)CNC(=O)C1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KMRJLRYPERNLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-13(2)11-22-20(26)16-10-19(25)24(12-16)17-5-6-18-15(9-17)7-8-23(18)21(27)14-3-4-14/h5-6,9,13-14,16H,3-4,7-8,10-12H2,1-2H3,(H,22,26).
What are the key properties of 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide?
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53155840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).