5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpyrrolidin-2-one

C14H23NO — CID 133106833

IUPAC5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpyrrolidin-2-one
SMILESCC1CC(C2CCC3CC2C3(C)C)NC1=O
InChIInChI=1S/C14H23NO/c1-8-6-12(15-13(8)16)10-5-4-9-7-11(10)14(9,2)3/h8-12H,4-7H2,1-3H3,(H,15,16)
InChIKeyFGOKYBVHCZSGKO-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.58
Rot. Bonds1

About 5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpyrrolidin-2-one

5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpyrrolidin-2-one (PubChem CID 133106833) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpyrrolidin-2-one
PubChem CID133106833
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpyrrolidin-2-one
SMILESCC1CC(C2CCC3CC2C3(C)C)NC1=O
InChIInChI=1S/C14H23NO/c1-8-6-12(15-13(8)16)10-5-4-9-7-11(10)14(9,2)3/h8-12H,4-7H2,1-3H3,(H,15,16)
InChIKeyFGOKYBVHCZSGKO-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpyrrolidin-2-one?
The IUPAC name of 5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpyrrolidin-2-one (CID 133106833) is 5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for 5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpyrrolidin-2-one is CC1CC(C2CCC3CC2C3(C)C)NC1=O.
What is the InChIKey of 5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpyrrolidin-2-one?
The InChIKey is FGOKYBVHCZSGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-8-6-12(15-13(8)16)10-5-4-9-7-11(10)14(9,2)3/h8-12H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpyrrolidin-2-one?
5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpyrrolidin-2-one has a molecular weight of 221.34 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 133106833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).