4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine

C11H16ClNO — CID 163583531

IUPAC4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine
SMILESCC1C=CC(N2CCOCC2)=CC1Cl
InChIInChI=1S/C11H16ClNO/c1-9-2-3-10(8-11(9)12)13-4-6-14-7-5-13/h2-3,8-9,11H,4-7H2,1H3
InChIKeyGJORJEIQMUNVMB-UHFFFAOYSA-N
MW213.71 g/mol
LogP2.02
Rot. Bonds1

About 4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine

4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine (PubChem CID 163583531) has the molecular formula C11H16ClNO and a molecular weight of 213.71 g/mol. Its IUPAC name is 4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine.

Molecular Properties

Compound Name4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine
PubChem CID163583531
Molecular FormulaC11H16ClNO
Molecular Weight213.71 g/mol
Exact Mass213.09
IUPAC Name4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine
SMILESCC1C=CC(N2CCOCC2)=CC1Cl
InChIInChI=1S/C11H16ClNO/c1-9-2-3-10(8-11(9)12)13-4-6-14-7-5-13/h2-3,8-9,11H,4-7H2,1H3
InChIKeyGJORJEIQMUNVMB-UHFFFAOYSA-N
XLogP2.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.71
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3,6-dimethylcyclohexen-1-yl)morpholine
CID 121011898
4-morpholin-4-ylcyclohexa-2,4-diene-1-carboxylic acid
CID 134570528
4-(2H-pyran-5-yl)morpholine
CID 22493491
1-methyl-4-morpholin-4-yl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carbaldehyde
CID 163702109
3-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-ol
CID 174762674
4-[2-[(3S,4S)-3,4-dimethylcyclohexa-1,5-dien-1-yl]oxyethyl]morpholine
CID 164736823
4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine
CID 90722362
1-ethyl-4-methyl-2-morpholin-4-yl-5-nitrocyclopent-2-en-1-ol
CID 15094447
4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine
CID 6332538
2,3,6,6-tetramethyl-5-morpholin-4-yl-2,3-dihydro-1,4-oxazine
CID 156547724
ethane;4-(5-ethyl-3-bicyclo[4.1.0]hepta-2,4-dienyl)morpholine;hydrofluoride
CID 143502148
4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine
CID 166443931

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine?
The IUPAC name of 4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine (CID 163583531) is 4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine.
What is the SMILES notation for 4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine?
The canonical SMILES for 4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine is CC1C=CC(N2CCOCC2)=CC1Cl.
What is the InChIKey of 4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine?
The InChIKey is GJORJEIQMUNVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO/c1-9-2-3-10(8-11(9)12)13-4-6-14-7-5-13/h2-3,8-9,11H,4-7H2,1H3.
What are the key properties of 4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine?
4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine has a molecular weight of 213.71 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine is sourced from PubChem (CID 163583531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).