(4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone

C13H21NO2 — CID 138722431

IUPAC(4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone
SMILESCCC1=CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H21NO2/c1-2-11-3-5-12(6-4-11)13(15)14-7-9-16-10-8-14/h3,12H,2,4-10H2,1H3
InChIKeyIFEJHIJUMJBHJF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.98
Rot. Bonds2

About (4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone

(4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone (PubChem CID 138722431) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is (4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone
PubChem CID138722431
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name(4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone
SMILESCCC1=CCC(C(=O)N2CCOCC2)CC1
InChIInChI=1S/C13H21NO2/c1-2-11-3-5-12(6-4-11)13(15)14-7-9-16-10-8-14/h3,12H,2,4-10H2,1H3
InChIKeyIFEJHIJUMJBHJF-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

morpholin-4-yl-(4-propan-2-ylcyclohex-3-en-1-yl)methanone
CID 138722432
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424
[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 166600805
1-[4-[4-(morpholine-4-carbonyl)cyclohexanecarbonyl]piperazin-1-yl]ethanone
CID 109146746
cyclopropyl-[4-(morpholine-4-carbonyl)piperazin-1-yl]methanone
CID 110346881
morpholin-4-yl-[1-(4-propan-2-ylphenyl)piperidin-4-yl]methanone
CID 166901168
2-(4-ethoxyphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110428417
N'-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-N-ethyl-4-(morpholine-4-carbonyl)piperidine-1-carboximidamide
CID 109392432
1-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]butan-1-one
CID 42693440
4-(morpholine-4-carbonyl)-N-phenylcyclohexane-1-carboxamide
CID 109146802
3-(morpholine-4-carbonyl)cyclohexane-1-carboxylic acid
CID 63789770
(5-methyloxolan-3-yl)-morpholin-4-ylmethanone
CID 114826121

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone (CID 138722431) is (4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone is CCC1=CCC(C(=O)N2CCOCC2)CC1.
What is the InChIKey of (4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone?
The InChIKey is IFEJHIJUMJBHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-11-3-5-12(6-4-11)13(15)14-7-9-16-10-8-14/h3,12H,2,4-10H2,1H3.
What are the key properties of (4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone?
(4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone has a molecular weight of 223.32 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohex-3-en-1-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 138722431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).