5-(indole-1-carbonyl)-5-(2-methylpropyl)pyrrolidin-2-one

C17H20N2O2 — CID 16663831

IUPAC5-(indole-1-carbonyl)-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1(C(=O)n2ccc3ccccc32)CCC(=O)N1
InChIInChI=1S/C17H20N2O2/c1-12(2)11-17(9-7-15(20)18-17)16(21)19-10-8-13-5-3-4-6-14(13)19/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,18,20)
InChIKeyRWVXDPYRVQGCCM-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.98
Rot. Bonds3

About 5-(indole-1-carbonyl)-5-(2-methylpropyl)pyrrolidin-2-one

5-(indole-1-carbonyl)-5-(2-methylpropyl)pyrrolidin-2-one (PubChem CID 16663831) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-(indole-1-carbonyl)-5-(2-methylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(indole-1-carbonyl)-5-(2-methylpropyl)pyrrolidin-2-one
PubChem CID16663831
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name5-(indole-1-carbonyl)-5-(2-methylpropyl)pyrrolidin-2-one
SMILESCC(C)CC1(C(=O)n2ccc3ccccc32)CCC(=O)N1
InChIInChI=1S/C17H20N2O2/c1-12(2)11-17(9-7-15(20)18-17)16(21)19-10-8-13-5-3-4-6-14(13)19/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,18,20)
InChIKeyRWVXDPYRVQGCCM-UHFFFAOYSA-N
XLogP2.98
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(indole-1-carbonyl)-5-(2-methylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-(indole-1-carbonyl)-5-(2-methylpropyl)pyrrolidin-2-one (CID 16663831) is 5-(indole-1-carbonyl)-5-(2-methylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(indole-1-carbonyl)-5-(2-methylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-(indole-1-carbonyl)-5-(2-methylpropyl)pyrrolidin-2-one is CC(C)CC1(C(=O)n2ccc3ccccc32)CCC(=O)N1.
What is the InChIKey of 5-(indole-1-carbonyl)-5-(2-methylpropyl)pyrrolidin-2-one?
The InChIKey is RWVXDPYRVQGCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12(2)11-17(9-7-15(20)18-17)16(21)19-10-8-13-5-3-4-6-14(13)19/h3-6,8,10,12H,7,9,11H2,1-2H3,(H,18,20).
What are the key properties of 5-(indole-1-carbonyl)-5-(2-methylpropyl)pyrrolidin-2-one?
5-(indole-1-carbonyl)-5-(2-methylpropyl)pyrrolidin-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(indole-1-carbonyl)-5-(2-methylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 16663831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).