4-(2-cyclohexa-2,5-dien-1-yloxyethyl)morpholine

C12H19NO2 — CID 57109270

IUPAC4-(2-cyclohexa-2,5-dien-1-yloxyethyl)morpholine
SMILESC1=CC(OCCN2CCOCC2)C=CC1
InChIInChI=1S/C12H19NO2/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13/h2-5,12H,1,6-11H2
InChIKeyFKZSNVGSDKMDPE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.22
Rot. Bonds4

About 4-(2-cyclohexa-2,5-dien-1-yloxyethyl)morpholine

4-(2-cyclohexa-2,5-dien-1-yloxyethyl)morpholine (PubChem CID 57109270) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(2-cyclohexa-2,5-dien-1-yloxyethyl)morpholine.

Molecular Properties

Compound Name4-(2-cyclohexa-2,5-dien-1-yloxyethyl)morpholine
PubChem CID57109270
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-(2-cyclohexa-2,5-dien-1-yloxyethyl)morpholine
SMILESC1=CC(OCCN2CCOCC2)C=CC1
InChIInChI=1S/C12H19NO2/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13/h2-5,12H,1,6-11H2
InChIKeyFKZSNVGSDKMDPE-UHFFFAOYSA-N
XLogP1.22
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.22
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

4-(3,6-dihydro-2H-pyran-3-yl)morpholine
CID 22727636
4-[2-[(E)-5-methylhex-2-enoxy]ethyl]morpholine
CID 59434655
4-[2-(5-Methylhex-2-enoxy)ethyl]morpholine
CID 72298043
4-(2-Pent-2-enoxyethyl)morpholine
CID 91107015
4-Methyl-2-(3-methylbut-1-enyl)morpholine
CID 91270593
4-[2-[(2R)-but-3-en-2-yl]oxyethyl]morpholine
CID 117767732
N,N-dimethyl-2-pent-3-en-2-yloxyethanamine
CID 124017904
4-[2-[(E)-pent-2-enoxy]ethyl]morpholine
CID 126724406
4-[2-[(E)-hex-2-enoxy]ethyl]morpholine
CID 126724688
4-[2-[(Z)-hex-3-en-2-yl]oxyethyl]morpholine
CID 138716178
2-[(1E)-buta-1,3-dienyl]-4-propan-2-ylmorpholine
CID 139302734
4-[(E)-4-methoxypent-2-enyl]morpholine
CID 139324285

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexa-2,5-dien-1-yloxyethyl)morpholine?
The IUPAC name of 4-(2-cyclohexa-2,5-dien-1-yloxyethyl)morpholine (CID 57109270) is 4-(2-cyclohexa-2,5-dien-1-yloxyethyl)morpholine.
What is the SMILES notation for 4-(2-cyclohexa-2,5-dien-1-yloxyethyl)morpholine?
The canonical SMILES for 4-(2-cyclohexa-2,5-dien-1-yloxyethyl)morpholine is C1=CC(OCCN2CCOCC2)C=CC1.
What is the InChIKey of 4-(2-cyclohexa-2,5-dien-1-yloxyethyl)morpholine?
The InChIKey is FKZSNVGSDKMDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-4-12(5-3-1)15-11-8-13-6-9-14-10-7-13/h2-5,12H,1,6-11H2.
What are the key properties of 4-(2-cyclohexa-2,5-dien-1-yloxyethyl)morpholine?
4-(2-cyclohexa-2,5-dien-1-yloxyethyl)morpholine has a molecular weight of 209.29 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexa-2,5-dien-1-yloxyethyl)morpholine is sourced from PubChem (CID 57109270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).