4-[(4-methylcyclohex-3-en-1-yl)methyl]morpholine

C12H21NO — CID 138722433

IUPAC4-[(4-methylcyclohex-3-en-1-yl)methyl]morpholine
SMILESCC1=CCC(CN2CCOCC2)CC1
InChIInChI=1S/C12H21NO/c1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13/h2,12H,3-10H2,1H3
InChIKeyHOYDROXTMYFKIB-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.07
Rot. Bonds2

About 4-[(4-methylcyclohex-3-en-1-yl)methyl]morpholine

4-[(4-methylcyclohex-3-en-1-yl)methyl]morpholine (PubChem CID 138722433) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-[(4-methylcyclohex-3-en-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(4-methylcyclohex-3-en-1-yl)methyl]morpholine
PubChem CID138722433
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-[(4-methylcyclohex-3-en-1-yl)methyl]morpholine
SMILESCC1=CCC(CN2CCOCC2)CC1
InChIInChI=1S/C12H21NO/c1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13/h2,12H,3-10H2,1H3
InChIKeyHOYDROXTMYFKIB-UHFFFAOYSA-N
XLogP2.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylcyclohex-3-en-1-yl)methyl]morpholine?
The IUPAC name of 4-[(4-methylcyclohex-3-en-1-yl)methyl]morpholine (CID 138722433) is 4-[(4-methylcyclohex-3-en-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[(4-methylcyclohex-3-en-1-yl)methyl]morpholine?
The canonical SMILES for 4-[(4-methylcyclohex-3-en-1-yl)methyl]morpholine is CC1=CCC(CN2CCOCC2)CC1.
What is the InChIKey of 4-[(4-methylcyclohex-3-en-1-yl)methyl]morpholine?
The InChIKey is HOYDROXTMYFKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13/h2,12H,3-10H2,1H3.
What are the key properties of 4-[(4-methylcyclohex-3-en-1-yl)methyl]morpholine?
4-[(4-methylcyclohex-3-en-1-yl)methyl]morpholine has a molecular weight of 195.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohex-3-en-1-yl)methyl]morpholine is sourced from PubChem (CID 138722433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).