3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one

C13H22N2O — CID 104787910

IUPAC3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one
SMILESCCN(CC)C1CCN(C2=CC(=O)CC2)C1
InChIInChI=1S/C13H22N2O/c1-3-14(4-2)12-7-8-15(10-12)11-5-6-13(16)9-11/h9,12H,3-8,10H2,1-2H3
InChIKeyVNKGHZPQEWJOOH-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.65
Rot. Bonds4

About 3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one

3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one (PubChem CID 104787910) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one
PubChem CID104787910
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one
SMILESCCN(CC)C1CCN(C2=CC(=O)CC2)C1
InChIInChI=1S/C13H22N2O/c1-3-14(4-2)12-7-8-15(10-12)11-5-6-13(16)9-11/h9,12H,3-8,10H2,1-2H3
InChIKeyVNKGHZPQEWJOOH-UHFFFAOYSA-N
XLogP1.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-[(dimethylamino)methyl]piperidin-1-yl]cyclopent-2-en-1-one
CID 104787803
3-(3-ethylsulfanylpiperidin-1-yl)cyclopent-2-en-1-one
CID 130758468
3-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]cyclobut-2-en-1-one
CID 25057268
3-(3-morpholin-4-ylpyrrolidin-1-yl)cyclopent-2-en-1-one
CID 104787913
3-(3,4-dimethoxypyrrolidin-1-yl)cyclopent-2-en-1-one
CID 103534416
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)cyclopent-2-en-1-one
CID 104788019
3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one
CID 130920843
6-[3-(diethylamino)pyrrolidin-1-yl]pyridin-3-amine
CID 55158197
1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one
CID 115994623
1-(3-aminophenyl)-N,N-diethylpyrrolidin-3-amine
CID 63168616
5-[3-(diethylamino)pyrrolidin-1-yl]-1,3-dimethylpyrazole-4-carbaldehyde
CID 55158986
1-(3-amino-5-methylphenyl)-N,N-diethylpyrrolidin-3-amine
CID 112647755

Frequently Asked Questions

What is the IUPAC name of 3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one?
The IUPAC name of 3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one (CID 104787910) is 3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one is CCN(CC)C1CCN(C2=CC(=O)CC2)C1.
What is the InChIKey of 3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one?
The InChIKey is VNKGHZPQEWJOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-3-14(4-2)12-7-8-15(10-12)11-5-6-13(16)9-11/h9,12H,3-8,10H2,1-2H3.
What are the key properties of 3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one?
3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one has a molecular weight of 222.33 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(diethylamino)pyrrolidin-1-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 104787910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).