(3-methylidenecyclohexyl)-morpholin-4-ylmethanone

C12H19NO2 — CID 90956679

IUPAC(3-methylidenecyclohexyl)-morpholin-4-ylmethanone
SMILESC=C1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C12H19NO2/c1-10-3-2-4-11(9-10)12(14)13-5-7-15-8-6-13/h11H,1-9H2
InChIKeyKRAFYWDGUDISBF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.59
Rot. Bonds1

About (3-methylidenecyclohexyl)-morpholin-4-ylmethanone

(3-methylidenecyclohexyl)-morpholin-4-ylmethanone (PubChem CID 90956679) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is (3-methylidenecyclohexyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-methylidenecyclohexyl)-morpholin-4-ylmethanone
PubChem CID90956679
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name(3-methylidenecyclohexyl)-morpholin-4-ylmethanone
SMILESC=C1CCCC(C(=O)N2CCOCC2)C1
InChIInChI=1S/C12H19NO2/c1-10-3-2-4-11(9-10)12(14)13-5-7-15-8-6-13/h11H,1-9H2
InChIKeyKRAFYWDGUDISBF-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.59
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

Cyclohexanecarboxylic acid, morpholide
CID 531815
3-Cyclohexyl-1-(morpholin-4-yl)propan-1-one
CID 887288
Morpholine, 4-(2-(4-(2-methylpropyl)-1-cyclohexen-1-yl)-1-oxobutyl)-
CID 214706
5-(4,4-Difluoro-5-morpholino-5-oxopent-1-en-2-yl)-2-methylcyclohexan-1-one
CID 168720259
2,2-Difluoro-5-methyl-4-methylene-1-morpholinohexan-1-one
CID 168720300
5-Ethyl-2,2-difluoro-4-methylene-1-morpholinoheptan-1-one
CID 168720301
2,2-Difluoro-6-methyl-4-methylene-1-morpholinoheptan-1-one
CID 168720304
2-Cyclohexyl-1-(morpholin-4-yl)ethanone
CID 885486
Cyclohex-3-en-1-yl(morpholino)methanone
CID 12760863
(4-Fluorocyclohexyl)-morpholin-4-ylmethanone
CID 70855888
(2-Fluoro-4-methylidenecyclohexyl)-morpholin-4-ylmethanone
CID 91199630
(2R,3R,6R)-2,3,6-trimethyl-4-methylidene-1,7-dimorpholin-4-ylheptane-1,7-dione
CID 11451020

Frequently Asked Questions

What is the IUPAC name of (3-methylidenecyclohexyl)-morpholin-4-ylmethanone?
The IUPAC name of (3-methylidenecyclohexyl)-morpholin-4-ylmethanone (CID 90956679) is (3-methylidenecyclohexyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-methylidenecyclohexyl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-methylidenecyclohexyl)-morpholin-4-ylmethanone is C=C1CCCC(C(=O)N2CCOCC2)C1.
What is the InChIKey of (3-methylidenecyclohexyl)-morpholin-4-ylmethanone?
The InChIKey is KRAFYWDGUDISBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-10-3-2-4-11(9-10)12(14)13-5-7-15-8-6-13/h11H,1-9H2.
What are the key properties of (3-methylidenecyclohexyl)-morpholin-4-ylmethanone?
(3-methylidenecyclohexyl)-morpholin-4-ylmethanone has a molecular weight of 209.29 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylidenecyclohexyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 90956679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).