5-[difluoro(pyrrolidin-3-yl)methyl]-1-methyl-3H-indol-2-one

C14H16F2N2O — CID 116839080

IUPAC5-[difluoro(pyrrolidin-3-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(F)(F)C3CCNC3)ccc21
InChIInChI=1S/C14H16F2N2O/c1-18-12-3-2-10(6-9(12)7-13(18)19)14(15,16)11-4-5-17-8-11/h2-3,6,11,17H,4-5,7-8H2,1H3
InChIKeyVEVPKXRFROVWRF-UHFFFAOYSA-N
MW266.29 g/mol
LogP1.91
Rot. Bonds2

About 5-[difluoro(pyrrolidin-3-yl)methyl]-1-methyl-3H-indol-2-one

5-[difluoro(pyrrolidin-3-yl)methyl]-1-methyl-3H-indol-2-one (PubChem CID 116839080) has the molecular formula C14H16F2N2O and a molecular weight of 266.29 g/mol. Its IUPAC name is 5-[difluoro(pyrrolidin-3-yl)methyl]-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name5-[difluoro(pyrrolidin-3-yl)methyl]-1-methyl-3H-indol-2-one
PubChem CID116839080
Molecular FormulaC14H16F2N2O
Molecular Weight266.29 g/mol
Exact Mass266.12
IUPAC Name5-[difluoro(pyrrolidin-3-yl)methyl]-1-methyl-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(C(F)(F)C3CCNC3)ccc21
InChIInChI=1S/C14H16F2N2O/c1-18-12-3-2-10(6-9(12)7-13(18)19)14(15,16)11-4-5-17-8-11/h2-3,6,11,17H,4-5,7-8H2,1H3
InChIKeyVEVPKXRFROVWRF-UHFFFAOYSA-N
XLogP1.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-5-pyrrolidin-3-yloxy-3H-indol-2-one
CID 117209664
5-[difluoro(pyrrolidin-3-yl)methyl]-1-methylbenzimidazole
CID 116839115
5-(2-amino-3-methylbutan-2-yl)-1-methyl-3H-indol-2-one
CID 82289779
3-[difluoro-(4-methylsulfanylphenyl)methyl]pyrrolidine
CID 116839106
1-methyl-5-(piperazin-2-ylmethyl)-3H-indol-2-one
CID 116825281
1-methyl-5-pyrrolidin-2-yl-3H-indol-2-one
CID 82284941
1-methyl-5-(2,2,2-trifluoro-1-hydroxyethyl)-3H-indol-2-one
CID 61087034
5-(1-bromo-2,2,2-trifluoroethyl)-1-methyl-3H-indol-2-one
CID 61097937
5-(azetidin-3-ylmethylamino)-1-methyl-3H-indol-2-one
CID 115207235
8-(trifluoromethyl)-1,2,3,4,4a,6-hexahydropyrazino[1,2-a]quinolin-5-one
CID 175776881
[2-methyl-2-(1-methyl-2-oxo-3H-indol-5-yl)propyl]urea
CID 115168782
1-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]-3H-indol-2-one
CID 66794059

Frequently Asked Questions

What is the IUPAC name of 5-[difluoro(pyrrolidin-3-yl)methyl]-1-methyl-3H-indol-2-one?
The IUPAC name of 5-[difluoro(pyrrolidin-3-yl)methyl]-1-methyl-3H-indol-2-one (CID 116839080) is 5-[difluoro(pyrrolidin-3-yl)methyl]-1-methyl-3H-indol-2-one.
What is the SMILES notation for 5-[difluoro(pyrrolidin-3-yl)methyl]-1-methyl-3H-indol-2-one?
The canonical SMILES for 5-[difluoro(pyrrolidin-3-yl)methyl]-1-methyl-3H-indol-2-one is CN1C(=O)Cc2cc(C(F)(F)C3CCNC3)ccc21.
What is the InChIKey of 5-[difluoro(pyrrolidin-3-yl)methyl]-1-methyl-3H-indol-2-one?
The InChIKey is VEVPKXRFROVWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N2O/c1-18-12-3-2-10(6-9(12)7-13(18)19)14(15,16)11-4-5-17-8-11/h2-3,6,11,17H,4-5,7-8H2,1H3.
What are the key properties of 5-[difluoro(pyrrolidin-3-yl)methyl]-1-methyl-3H-indol-2-one?
5-[difluoro(pyrrolidin-3-yl)methyl]-1-methyl-3H-indol-2-one has a molecular weight of 266.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[difluoro(pyrrolidin-3-yl)methyl]-1-methyl-3H-indol-2-one is sourced from PubChem (CID 116839080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).