1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

C21H25N3O3 — CID 53155815

IUPAC1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1)N1CCCC1
InChIInChI=1S/C21H25N3O3/c25-19-12-16(20(26)22-8-1-2-9-22)13-24(19)17-5-6-18-15(11-17)7-10-23(18)21(27)14-3-4-14/h5-6,11,14,16H,1-4,7-10,12-13H2
InChIKeyHQOAYAQLIRWJPZ-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.96
Rot. Bonds3

About 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 53155815) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID53155815
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1)N1CCCC1
InChIInChI=1S/C21H25N3O3/c25-19-12-16(20(26)22-8-1-2-9-22)13-24(19)17-5-6-18-15(11-17)7-10-23(18)21(27)14-3-4-14/h5-6,11,14,16H,1-4,7-10,12-13H2
InChIKeyHQOAYAQLIRWJPZ-UHFFFAOYSA-N
XLogP1.96
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 95098688
(4R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 95098786
1-phenyl-4-(5-pyrrolidin-1-yl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 110634451
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 53155840
(3R)-N-[(2S)-butan-2-yl]-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 95098696
(3S)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098694
(4S)-1-(1-acetyl-2,3-dihydroindol-5-yl)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrrolidin-2-one
CID 95098414
(3R)-1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098793
(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-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-[(4-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 95098830
1-[1-(cyclobutanecarbonyl)-2,3-dihydroindol-5-yl]-N-(2-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 53155872

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 53155815) is 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is O=C(C1CC(=O)N(c2ccc3c(c2)CCN3C(=O)C2CC2)C1)N1CCCC1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is HQOAYAQLIRWJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-19-12-16(20(26)22-8-1-2-9-22)13-24(19)17-5-6-18-15(11-17)7-10-23(18)21(27)14-3-4-14/h5-6,11,14,16H,1-4,7-10,12-13H2.
What are the key properties of 1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
1-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 367.45 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 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]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 53155815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).