3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one

C15H18N2O2 — CID 80500008

IUPAC3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(C(=O)C3CCCN3)cc21
InChIInChI=1S/C15H18N2O2/c1-15(2)10-8-9(5-6-11(10)17-14(15)19)13(18)12-4-3-7-16-12/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyMKIBDFJIRLOSTP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.85
Rot. Bonds2

About 3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one

3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one (PubChem CID 80500008) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one
PubChem CID80500008
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2ccc(C(=O)C3CCCN3)cc21
InChIInChI=1S/C15H18N2O2/c1-15(2)10-8-9(5-6-11(10)17-14(15)19)13(18)12-4-3-7-16-12/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,17,19)
InChIKeyMKIBDFJIRLOSTP-UHFFFAOYSA-N
XLogP1.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one (CID 80500008) is 3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one is CC1(C)C(=O)Nc2ccc(C(=O)C3CCCN3)cc21.
What is the InChIKey of 3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one?
The InChIKey is MKIBDFJIRLOSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-15(2)10-8-9(5-6-11(10)17-14(15)19)13(18)12-4-3-7-16-12/h5-6,8,12,16H,3-4,7H2,1-2H3,(H,17,19).
What are the key properties of 3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one?
3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(pyrrolidine-2-carbonyl)-1H-indol-2-one is sourced from PubChem (CID 80500008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).