4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one

C14H20N2O2 — CID 106188082

IUPAC4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one
SMILESCC1(C)Cc2c(ccn2C2CNC(=O)C2)C(O)C1
InChIInChI=1S/C14H20N2O2/c1-14(2)6-11-10(12(17)7-14)3-4-16(11)9-5-13(18)15-8-9/h3-4,9,12,17H,5-8H2,1-2H3,(H,15,18)
InChIKeyQSOLAQZUTYVZCX-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.55
Rot. Bonds1

About 4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one

4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one (PubChem CID 106188082) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one
PubChem CID106188082
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one
SMILESCC1(C)Cc2c(ccn2C2CNC(=O)C2)C(O)C1
InChIInChI=1S/C14H20N2O2/c1-14(2)6-11-10(12(17)7-14)3-4-16(11)9-5-13(18)15-8-9/h3-4,9,12,17H,5-8H2,1-2H3,(H,15,18)
InChIKeyQSOLAQZUTYVZCX-UHFFFAOYSA-N
XLogP1.55
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one?
The IUPAC name of 4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one (CID 106188082) is 4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one is CC1(C)Cc2c(ccn2C2CNC(=O)C2)C(O)C1.
What is the InChIKey of 4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one?
The InChIKey is QSOLAQZUTYVZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-14(2)6-11-10(12(17)7-14)3-4-16(11)9-5-13(18)15-8-9/h3-4,9,12,17H,5-8H2,1-2H3,(H,15,18).
What are the key properties of 4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one?
4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one has a molecular weight of 248.33 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-6,6-dimethyl-5,7-dihydro-4H-indol-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 106188082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).