(3R)-3-(6-methyl-2,3-dihydroindol-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

C17H20N4O — CID 98565429

IUPAC(3R)-3-(6-methyl-2,3-dihydroindol-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1ccc2c(c1)N([C@@H]1CCN(c3cnn(C)c3)C1=O)CC2
InChIInChI=1S/C17H20N4O/c1-12-3-4-13-5-7-21(16(13)9-12)15-6-8-20(17(15)22)14-10-18-19(2)11-14/h3-4,9-11,15H,5-8H2,1-2H3/t15-/m1/s1
InChIKeyKDYCHHCPFDIMAY-OAHLLOKOSA-N
MW296.37 g/mol
LogP1.90
Rot. Bonds2

About (3R)-3-(6-methyl-2,3-dihydroindol-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one

(3R)-3-(6-methyl-2,3-dihydroindol-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (PubChem CID 98565429) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is (3R)-3-(6-methyl-2,3-dihydroindol-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(6-methyl-2,3-dihydroindol-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
PubChem CID98565429
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name(3R)-3-(6-methyl-2,3-dihydroindol-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
SMILESCc1ccc2c(c1)N([C@@H]1CCN(c3cnn(C)c3)C1=O)CC2
InChIInChI=1S/C17H20N4O/c1-12-3-4-13-5-7-21(16(13)9-12)15-6-8-20(17(15)22)14-10-18-19(2)11-14/h3-4,9-11,15H,5-8H2,1-2H3/t15-/m1/s1
InChIKeyKDYCHHCPFDIMAY-OAHLLOKOSA-N
XLogP1.90
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-methyl-2,3-dihydroindol-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The IUPAC name of (3R)-3-(6-methyl-2,3-dihydroindol-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one (CID 98565429) is (3R)-3-(6-methyl-2,3-dihydroindol-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(6-methyl-2,3-dihydroindol-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The canonical SMILES for (3R)-3-(6-methyl-2,3-dihydroindol-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is Cc1ccc2c(c1)N([C@@H]1CCN(c3cnn(C)c3)C1=O)CC2.
What is the InChIKey of (3R)-3-(6-methyl-2,3-dihydroindol-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
The InChIKey is KDYCHHCPFDIMAY-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-3-4-13-5-7-21(16(13)9-12)15-6-8-20(17(15)22)14-10-18-19(2)11-14/h3-4,9-11,15H,5-8H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-(6-methyl-2,3-dihydroindol-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one?
(3R)-3-(6-methyl-2,3-dihydroindol-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one has a molecular weight of 296.37 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-methyl-2,3-dihydroindol-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one is sourced from PubChem (CID 98565429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).