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

C8H13NO — CID 580167

IUPAC3-(dimethylamino)-2-methylcyclopent-2-en-1-one
SMILESCC1=C(N(C)C)CCC1=O
InChIInChI=1S/C8H13NO/c1-6-7(9(2)3)4-5-8(6)10/h4-5H2,1-3H3
InChIKeyZOLQEPRWKNHQOF-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.18
Rot. Bonds1

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

3-(dimethylamino)-2-methylcyclopent-2-en-1-one (PubChem CID 580167) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 3-(dimethylamino)-2-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-2-methylcyclopent-2-en-1-one
PubChem CID580167
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name3-(dimethylamino)-2-methylcyclopent-2-en-1-one
SMILESCC1=C(N(C)C)CCC1=O
InChIInChI=1S/C8H13NO/c1-6-7(9(2)3)4-5-8(6)10/h4-5H2,1-3H3
InChIKeyZOLQEPRWKNHQOF-UHFFFAOYSA-N
XLogP1.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-2-methylcyclopent-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-2-methylcyclopent-2-en-1-one (CID 580167) is 3-(dimethylamino)-2-methylcyclopent-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-2-methylcyclopent-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-2-methylcyclopent-2-en-1-one is CC1=C(N(C)C)CCC1=O.
What is the InChIKey of 3-(dimethylamino)-2-methylcyclopent-2-en-1-one?
The InChIKey is ZOLQEPRWKNHQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-6-7(9(2)3)4-5-8(6)10/h4-5H2,1-3H3.
What are the key properties of 3-(dimethylamino)-2-methylcyclopent-2-en-1-one?
3-(dimethylamino)-2-methylcyclopent-2-en-1-one has a molecular weight of 139.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-2-methylcyclopent-2-en-1-one is sourced from PubChem (CID 580167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).