1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one

C20H19N5O2 — CID 166279915

IUPAC1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one
SMILESCc1cc(C(=O)N2CCc3cc(N4CCCC4=O)ccc32)cc2n[nH]nc12
InChIInChI=1S/C20H19N5O2/c1-12-9-14(11-16-19(12)22-23-21-16)20(27)25-8-6-13-10-15(4-5-17(13)25)24-7-2-3-18(24)26/h4-5,9-11H,2-3,6-8H2,1H3,(H,21,22,23)
InChIKeyYCKFHRWVBQMJFI-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.60
Rot. Bonds2

About 1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one

1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one (PubChem CID 166279915) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one
PubChem CID166279915
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one
SMILESCc1cc(C(=O)N2CCc3cc(N4CCCC4=O)ccc32)cc2n[nH]nc12
InChIInChI=1S/C20H19N5O2/c1-12-9-14(11-16-19(12)22-23-21-16)20(27)25-8-6-13-10-15(4-5-17(13)25)24-7-2-3-18(24)26/h4-5,9-11H,2-3,6-8H2,1H3,(H,21,22,23)
InChIKeyYCKFHRWVBQMJFI-UHFFFAOYSA-N
XLogP2.60
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]pyrrolidin-2-one
CID 27829776
1-[3-(2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 27825940
1-[3-(5-piperidin-1-ylsulfonyl-2,3-dihydroindole-1-carbonyl)phenyl]pyrrolidin-2-one
CID 55438632
1-(3-cyano-4-fluorophenyl)-5-[5-(2-oxopiperidin-1-yl)-2,3-dihydroindole-1-carbonyl]pyrazole-3-carboxamide
CID 22240517
1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 43217662
1-(pyridazine-4-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 115909656
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46491877
(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315984
(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110316193
methyl 1-[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]-2,3-dihydroindole-5-carboxylate
CID 55514251
(5-methyl-2,3-dihydroindol-1-yl)-(4-methylphenyl)methanone
CID 20793206
1-[1-(3,5-dimethoxybenzoyl)-2,3-dihydroindol-5-yl]ethanone
CID 110737350

Frequently Asked Questions

What is the IUPAC name of 1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one (CID 166279915) is 1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one is Cc1cc(C(=O)N2CCc3cc(N4CCCC4=O)ccc32)cc2n[nH]nc12.
What is the InChIKey of 1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one?
The InChIKey is YCKFHRWVBQMJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-9-14(11-16-19(12)22-23-21-16)20(27)25-8-6-13-10-15(4-5-17(13)25)24-7-2-3-18(24)26/h4-5,9-11H,2-3,6-8H2,1H3,(H,21,22,23).
What are the key properties of 1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one?
1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one has a molecular weight of 361.41 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(7-methyl-2H-benzotriazole-5-carbonyl)-2,3-dihydroindol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 166279915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).