4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine

C10H14ClNO — CID 90722362

IUPAC4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine
SMILESClC1C=CCC=C1N1CCOCC1
InChIInChI=1S/C10H14ClNO/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h1,3-4,9H,2,5-8H2
InChIKeyCBPUFOFZAYNBCU-UHFFFAOYSA-N
MW199.68 g/mol
LogP1.77
Rot. Bonds1

About 4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine

4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine (PubChem CID 90722362) has the molecular formula C10H14ClNO and a molecular weight of 199.68 g/mol. Its IUPAC name is 4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine.

Molecular Properties

Compound Name4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine
PubChem CID90722362
Molecular FormulaC10H14ClNO
Molecular Weight199.68 g/mol
Exact Mass199.08
IUPAC Name4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine
SMILESClC1C=CCC=C1N1CCOCC1
InChIInChI=1S/C10H14ClNO/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h1,3-4,9H,2,5-8H2
InChIKeyCBPUFOFZAYNBCU-UHFFFAOYSA-N
XLogP1.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.68
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine?
The IUPAC name of 4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine (CID 90722362) is 4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine.
What is the SMILES notation for 4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine?
The canonical SMILES for 4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine is ClC1C=CCC=C1N1CCOCC1.
What is the InChIKey of 4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine?
The InChIKey is CBPUFOFZAYNBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h1,3-4,9H,2,5-8H2.
What are the key properties of 4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine?
4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine has a molecular weight of 199.68 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine is sourced from PubChem (CID 90722362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).