1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one

C15H25NO — CID 106651968

IUPAC1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1=CCCCCC1)N1CCCC1
InChIInChI=1S/C15H25NO/c1-15(2,16-11-7-8-12-16)14(17)13-9-5-3-4-6-10-13/h9H,3-8,10-12H2,1-2H3
InChIKeyCKTKDDBEYOOKJB-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.32
Rot. Bonds3

About 1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one

1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 106651968) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
PubChem CID106651968
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1=CCCCCC1)N1CCCC1
InChIInChI=1S/C15H25NO/c1-15(2,16-11-7-8-12-16)14(17)13-9-5-3-4-6-10-13/h9H,3-8,10-12H2,1-2H3
InChIKeyCKTKDDBEYOOKJB-UHFFFAOYSA-N
XLogP3.32
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one (CID 106651968) is 1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one is CC(C)(C(=O)C1=CCCCCC1)N1CCCC1.
What is the InChIKey of 1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is CKTKDDBEYOOKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-15(2,16-11-7-8-12-16)14(17)13-9-5-3-4-6-10-13/h9H,3-8,10-12H2,1-2H3.
What are the key properties of 1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 235.37 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohepten-1-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 106651968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).