3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one

C18H23NO — CID 66878851

IUPAC3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one
SMILESCN(C)c1cccc(C2=C(C3CCCC3)CCC2=O)c1
InChIInChI=1S/C18H23NO/c1-19(2)15-9-5-8-14(12-15)18-16(10-11-17(18)20)13-6-3-4-7-13/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3
InChIKeyKOUKCAUYFHTNAO-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.06
Rot. Bonds3

About 3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one

3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one (PubChem CID 66878851) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one
PubChem CID66878851
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one
SMILESCN(C)c1cccc(C2=C(C3CCCC3)CCC2=O)c1
InChIInChI=1S/C18H23NO/c1-19(2)15-9-5-8-14(12-15)18-16(10-11-17(18)20)13-6-3-4-7-13/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3
InChIKeyKOUKCAUYFHTNAO-UHFFFAOYSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one?
The IUPAC name of 3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one (CID 66878851) is 3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one?
The canonical SMILES for 3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one is CN(C)c1cccc(C2=C(C3CCCC3)CCC2=O)c1.
What is the InChIKey of 3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one?
The InChIKey is KOUKCAUYFHTNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-19(2)15-9-5-8-14(12-15)18-16(10-11-17(18)20)13-6-3-4-7-13/h5,8-9,12-13H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of 3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one?
3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one has a molecular weight of 269.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[3-(dimethylamino)phenyl]cyclopent-2-en-1-one is sourced from PubChem (CID 66878851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).