3-(dimethylamino)-2-ethylcyclopent-2-en-1-one

C9H15NO — CID 15105492

IUPAC3-(dimethylamino)-2-ethylcyclopent-2-en-1-one
SMILESCCC1=C(N(C)C)CCC1=O
InChIInChI=1S/C9H15NO/c1-4-7-8(10(2)3)5-6-9(7)11/h4-6H2,1-3H3
InChIKeyGEERUSMSNXSGHT-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds2

About 3-(dimethylamino)-2-ethylcyclopent-2-en-1-one

3-(dimethylamino)-2-ethylcyclopent-2-en-1-one (PubChem CID 15105492) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-(dimethylamino)-2-ethylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-2-ethylcyclopent-2-en-1-one
PubChem CID15105492
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-(dimethylamino)-2-ethylcyclopent-2-en-1-one
SMILESCCC1=C(N(C)C)CCC1=O
InChIInChI=1S/C9H15NO/c1-4-7-8(10(2)3)5-6-9(7)11/h4-6H2,1-3H3
InChIKeyGEERUSMSNXSGHT-UHFFFAOYSA-N
XLogP1.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-ethylcyclopent-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-2-ethylcyclopent-2-en-1-one (CID 15105492) is 3-(dimethylamino)-2-ethylcyclopent-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-2-ethylcyclopent-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-2-ethylcyclopent-2-en-1-one is CCC1=C(N(C)C)CCC1=O.
What is the InChIKey of 3-(dimethylamino)-2-ethylcyclopent-2-en-1-one?
The InChIKey is GEERUSMSNXSGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-4-7-8(10(2)3)5-6-9(7)11/h4-6H2,1-3H3.
What are the key properties of 3-(dimethylamino)-2-ethylcyclopent-2-en-1-one?
3-(dimethylamino)-2-ethylcyclopent-2-en-1-one has a molecular weight of 153.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-ethylcyclopent-2-en-1-one is sourced from PubChem (CID 15105492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).