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

C16H24N2O4 — CID 3663746

IUPAC[6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CC=CCC1C(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H24N2O4/c19-15(17-5-9-21-10-6-17)13-3-1-2-4-14(13)16(20)18-7-11-22-12-8-18/h1-2,13-14H,3-12H2
InChIKeyKTKKTXRVBRHYAL-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.29
Rot. Bonds2

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

[6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-morpholin-4-ylmethanone (PubChem CID 3663746) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-morpholin-4-ylmethanone
PubChem CID3663746
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name[6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-morpholin-4-ylmethanone
SMILESO=C(C1CC=CCC1C(=O)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H24N2O4/c19-15(17-5-9-21-10-6-17)13-3-1-2-4-14(13)16(20)18-7-11-22-12-8-18/h1-2,13-14H,3-12H2
InChIKeyKTKKTXRVBRHYAL-UHFFFAOYSA-N
XLogP0.29
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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]-morpholin-4-ylmethanone?
The IUPAC name of [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-morpholin-4-ylmethanone (CID 3663746) is [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-morpholin-4-ylmethanone is O=C(C1CC=CCC1C(=O)N1CCOCC1)N1CCOCC1.
What is the InChIKey of [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-morpholin-4-ylmethanone?
The InChIKey is KTKKTXRVBRHYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c19-15(17-5-9-21-10-6-17)13-3-1-2-4-14(13)16(20)18-7-11-22-12-8-18/h1-2,13-14H,3-12H2.
What are the key properties of [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-morpholin-4-ylmethanone?
[6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-morpholin-4-ylmethanone has a molecular weight of 308.38 g/mol, XLogP of 0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(morpholine-4-carbonyl)cyclohex-3-en-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 3663746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).