6-(cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one

C13H23NO — CID 14566638

IUPAC6-(cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one
SMILESCC(=O)CCC(CC1=CCCC1)N(C)C
InChIInChI=1S/C13H23NO/c1-11(15)8-9-13(14(2)3)10-12-6-4-5-7-12/h6,13H,4-5,7-10H2,1-3H3
InChIKeyUKWGKFBJCYLVEU-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.79
Rot. Bonds6

About 6-(cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one

6-(cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one (PubChem CID 14566638) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 6-(cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one.

Molecular Properties

Compound Name6-(cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one
PubChem CID14566638
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name6-(cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one
SMILESCC(=O)CCC(CC1=CCCC1)N(C)C
InChIInChI=1S/C13H23NO/c1-11(15)8-9-13(14(2)3)10-12-6-4-5-7-12/h6,13H,4-5,7-10H2,1-3H3
InChIKeyUKWGKFBJCYLVEU-UHFFFAOYSA-N
XLogP2.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one?
The IUPAC name of 6-(cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one (CID 14566638) is 6-(cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one.
What is the SMILES notation for 6-(cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one?
The canonical SMILES for 6-(cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one is CC(=O)CCC(CC1=CCCC1)N(C)C.
What is the InChIKey of 6-(cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one?
The InChIKey is UKWGKFBJCYLVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(15)8-9-13(14(2)3)10-12-6-4-5-7-12/h6,13H,4-5,7-10H2,1-3H3.
What are the key properties of 6-(cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one?
6-(cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one has a molecular weight of 209.33 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopenten-1-yl)-5-(dimethylamino)hexan-2-one is sourced from PubChem (CID 14566638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).