[6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone

C16H24N2O3 — CID 19133519

IUPAC[6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CC=CCC1C(=O)N1CCOCC1)N1CCCC1
InChIInChI=1S/C16H24N2O3/c19-15(17-7-3-4-8-17)13-5-1-2-6-14(13)16(20)18-9-11-21-12-10-18/h1-2,13-14H,3-12H2
InChIKeyOTFLGAWHTKWZOC-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.05
Rot. Bonds2

About [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone

[6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 19133519) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID19133519
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name[6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(C1CC=CCC1C(=O)N1CCOCC1)N1CCCC1
InChIInChI=1S/C16H24N2O3/c19-15(17-7-3-4-8-17)13-5-1-2-6-14(13)16(20)18-9-11-21-12-10-18/h1-2,13-14H,3-12H2
InChIKeyOTFLGAWHTKWZOC-UHFFFAOYSA-N
XLogP1.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone (CID 19133519) is [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone is O=C(C1CC=CCC1C(=O)N1CCOCC1)N1CCCC1.
What is the InChIKey of [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OTFLGAWHTKWZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-15(17-7-3-4-8-17)13-5-1-2-6-14(13)16(20)18-9-11-21-12-10-18/h1-2,13-14H,3-12H2.
What are the key properties of [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone?
[6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 292.38 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 19133519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).