3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile

C13H20N2O — CID 13444051

IUPAC3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile
SMILESCC1=C(C)CC(C#N)(N2CCOCC2)CC1
InChIInChI=1S/C13H20N2O/c1-11-3-4-13(10-14,9-12(11)2)15-5-7-16-8-6-15/h3-9H2,1-2H3
InChIKeyPJXPEIFLMMNLOD-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.10
Rot. Bonds1

About 3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile

3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile (PubChem CID 13444051) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile.

Molecular Properties

Compound Name3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile
PubChem CID13444051
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile
SMILESCC1=C(C)CC(C#N)(N2CCOCC2)CC1
InChIInChI=1S/C13H20N2O/c1-11-3-4-13(10-14,9-12(11)2)15-5-7-16-8-6-15/h3-9H2,1-2H3
InChIKeyPJXPEIFLMMNLOD-UHFFFAOYSA-N
XLogP2.10
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-morpholin-4-yl-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 43802976
3-morpholin-4-ylthiolane-3-carbonitrile
CID 3459329
3-morpholin-4-ylpiperidine-3-carbonitrile
CID 79308459
3-cyclopropyl-1-morpholin-4-ylcyclohexane-1-carbonitrile
CID 64624261
2,2-dimethyl-1-morpholin-4-ylcyclobutane-1-carbonitrile
CID 130555203
4-piperazin-1-yloxepane-4-carbonitrile
CID 65078898
1-morpholin-4-yl-3,4-dihydro-2H-naphthalene-1-carbonitrile
CID 43802963
4-(1-morpholin-4-ylcyclopropyl)morpholine
CID 121219677
8-(4-methylpiperazin-1-yl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile
CID 65420975
5-fluoro-1-morpholin-4-yl-2,3-dihydroindene-1-carbonitrile
CID 116531861
1-morpholin-4-yl-3-oxo-2,5,6,7,8,8a-hexahydroindolizine-1-carbonitrile
CID 114239126
ethane;methanol;3-piperidin-1-yloxetane-3-carbonitrile
CID 156730636

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile?
The IUPAC name of 3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile (CID 13444051) is 3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile.
What is the SMILES notation for 3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile?
The canonical SMILES for 3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile is CC1=C(C)CC(C#N)(N2CCOCC2)CC1.
What is the InChIKey of 3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile?
The InChIKey is PJXPEIFLMMNLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-3-4-13(10-14,9-12(11)2)15-5-7-16-8-6-15/h3-9H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile?
3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile has a molecular weight of 220.32 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-morpholin-4-ylcyclohex-3-ene-1-carbonitrile is sourced from PubChem (CID 13444051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).