5-cycloheptyl-5-methylpyrrolidin-3-one

C12H21NO — CID 115020388

IUPAC5-cycloheptyl-5-methylpyrrolidin-3-one
SMILESCC1(C2CCCCCC2)CC(=O)CN1
InChIInChI=1S/C12H21NO/c1-12(8-11(14)9-13-12)10-6-4-2-3-5-7-10/h10,13H,2-9H2,1H3
InChIKeyIMJNSYPVMDQTKP-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.28
Rot. Bonds1

About 5-cycloheptyl-5-methylpyrrolidin-3-one

5-cycloheptyl-5-methylpyrrolidin-3-one (PubChem CID 115020388) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-cycloheptyl-5-methylpyrrolidin-3-one.

Molecular Properties

Compound Name5-cycloheptyl-5-methylpyrrolidin-3-one
PubChem CID115020388
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5-cycloheptyl-5-methylpyrrolidin-3-one
SMILESCC1(C2CCCCCC2)CC(=O)CN1
InChIInChI=1S/C12H21NO/c1-12(8-11(14)9-13-12)10-6-4-2-3-5-7-10/h10,13H,2-9H2,1H3
InChIKeyIMJNSYPVMDQTKP-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-5-methylpyrrolidin-3-one?
The IUPAC name of 5-cycloheptyl-5-methylpyrrolidin-3-one (CID 115020388) is 5-cycloheptyl-5-methylpyrrolidin-3-one.
What is the SMILES notation for 5-cycloheptyl-5-methylpyrrolidin-3-one?
The canonical SMILES for 5-cycloheptyl-5-methylpyrrolidin-3-one is CC1(C2CCCCCC2)CC(=O)CN1.
What is the InChIKey of 5-cycloheptyl-5-methylpyrrolidin-3-one?
The InChIKey is IMJNSYPVMDQTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(8-11(14)9-13-12)10-6-4-2-3-5-7-10/h10,13H,2-9H2,1H3.
What are the key properties of 5-cycloheptyl-5-methylpyrrolidin-3-one?
5-cycloheptyl-5-methylpyrrolidin-3-one has a molecular weight of 195.31 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-5-methylpyrrolidin-3-one is sourced from PubChem (CID 115020388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).