1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one

C18H22F2N2O — CID 155909321

IUPAC1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C1N(CC2CCC(F)(F)CC2)c2ccccc2C12CCNC2
InChIInChI=1S/C18H22F2N2O/c19-18(20)7-5-13(6-8-18)11-22-15-4-2-1-3-14(15)17(16(22)23)9-10-21-12-17/h1-4,13,21H,5-12H2
InChIKeyRIIYEDQJRFOXPO-UHFFFAOYSA-N
MW320.38 g/mol
LogP3.09
Rot. Bonds2

About 1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one

1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 155909321) has the molecular formula C18H22F2N2O and a molecular weight of 320.38 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID155909321
Molecular FormulaC18H22F2N2O
Molecular Weight320.38 g/mol
Exact Mass320.17
IUPAC Name1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESO=C1N(CC2CCC(F)(F)CC2)c2ccccc2C12CCNC2
InChIInChI=1S/C18H22F2N2O/c19-18(20)7-5-13(6-8-18)11-22-15-4-2-1-3-14(15)17(16(22)23)9-10-21-12-17/h1-4,13,21H,5-12H2
InChIKeyRIIYEDQJRFOXPO-UHFFFAOYSA-N
XLogP3.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 155909321) is 1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one is O=C1N(CC2CCC(F)(F)CC2)c2ccccc2C12CCNC2.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is RIIYEDQJRFOXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2N2O/c19-18(20)7-5-13(6-8-18)11-22-15-4-2-1-3-14(15)17(16(22)23)9-10-21-12-17/h1-4,13,21H,5-12H2.
What are the key properties of 1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 320.38 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluorocyclohexyl)methyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 155909321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).