3-morpholin-4-yl-2-pentylcyclopent-2-en-1-one

C14H23NO2 — CID 7098886

IUPAC3-morpholin-4-yl-2-pentylcyclopent-2-en-1-one
SMILESCCCCCC1=C(N2CCOCC2)CCC1=O
InChIInChI=1S/C14H23NO2/c1-2-3-4-5-12-13(6-7-14(12)16)15-8-10-17-11-9-15/h2-11H2,1H3
InChIKeyGAZQALREDTZLPT-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.52
Rot. Bonds5

About 3-morpholin-4-yl-2-pentylcyclopent-2-en-1-one

3-morpholin-4-yl-2-pentylcyclopent-2-en-1-one (PubChem CID 7098886) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-morpholin-4-yl-2-pentylcyclopent-2-en-1-one.

Molecular Properties

Compound Name3-morpholin-4-yl-2-pentylcyclopent-2-en-1-one
PubChem CID7098886
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-morpholin-4-yl-2-pentylcyclopent-2-en-1-one
SMILESCCCCCC1=C(N2CCOCC2)CCC1=O
InChIInChI=1S/C14H23NO2/c1-2-3-4-5-12-13(6-7-14(12)16)15-8-10-17-11-9-15/h2-11H2,1H3
InChIKeyGAZQALREDTZLPT-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Acetyl-3-(1-piperidinyl)-2-cyclopenten-1-one
CID 788502
2-Methyl-3-morpholin-4-ylcyclopent-2-en-1-one
CID 13761641
Cambridge id 5968528
CID 877653
2-acetyl-1-(N-morpholinyl)cyclohexene
CID 12366496
Morpholinocyclohexenyl ketone
CID 129806360
2,2,2-Trifluoro-1-(2-morpholin-4-ylcyclopenten-1-yl)ethanone
CID 1954358
2-Acetyl-5,5-dimethyl-3-(4-morpholinyl)-2-cyclohexen-1-one
CID 5345874
3-Methyl-2-(2-morpholin-4-ylethyl)cyclohex-2-en-1-one
CID 5324060
2-Butanoyl-5-[tert-butyl(dimethyl)silyl]-3-morpholin-4-ylcyclopent-2-en-1-one
CID 11057271
1-(3-Chloro-2-morpholin-4-ylcyclohexen-1-yl)ethanone
CID 15164457
2-Butanoyl-3-morpholin-4-yl-5-propylcyclopent-2-en-1-one
CID 24976737
1-Hydroxy-2,3,6-trimethyl-5-(10-morpholin-4-yldecyl)pyridin-4-one
CID 66562997

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-2-pentylcyclopent-2-en-1-one?
The IUPAC name of 3-morpholin-4-yl-2-pentylcyclopent-2-en-1-one (CID 7098886) is 3-morpholin-4-yl-2-pentylcyclopent-2-en-1-one.
What is the SMILES notation for 3-morpholin-4-yl-2-pentylcyclopent-2-en-1-one?
The canonical SMILES for 3-morpholin-4-yl-2-pentylcyclopent-2-en-1-one is CCCCCC1=C(N2CCOCC2)CCC1=O.
What is the InChIKey of 3-morpholin-4-yl-2-pentylcyclopent-2-en-1-one?
The InChIKey is GAZQALREDTZLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-3-4-5-12-13(6-7-14(12)16)15-8-10-17-11-9-15/h2-11H2,1H3.
What are the key properties of 3-morpholin-4-yl-2-pentylcyclopent-2-en-1-one?
3-morpholin-4-yl-2-pentylcyclopent-2-en-1-one has a molecular weight of 237.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-2-pentylcyclopent-2-en-1-one is sourced from PubChem (CID 7098886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).