2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one

C14H23NO2 — CID 21204650

IUPAC2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one
SMILESC=CCC1(CN2CCOCC2)CCCCC1=O
InChIInChI=1S/C14H23NO2/c1-2-6-14(7-4-3-5-13(14)16)12-15-8-10-17-11-9-15/h2H,1,3-12H2
InChIKeyJBDFBZWWJHTOJP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.02
Rot. Bonds4

About 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one

2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one (PubChem CID 21204650) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one
PubChem CID21204650
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one
SMILESC=CCC1(CN2CCOCC2)CCCCC1=O
InChIInChI=1S/C14H23NO2/c1-2-6-14(7-4-3-5-13(14)16)12-15-8-10-17-11-9-15/h2H,1,3-12H2
InChIKeyJBDFBZWWJHTOJP-UHFFFAOYSA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one?
The IUPAC name of 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one (CID 21204650) is 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one is C=CCC1(CN2CCOCC2)CCCCC1=O.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one?
The InChIKey is JBDFBZWWJHTOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-6-14(7-4-3-5-13(14)16)12-15-8-10-17-11-9-15/h2H,1,3-12H2.
What are the key properties of 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one?
2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one has a molecular weight of 237.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-2-prop-2-enylcyclohexan-1-one is sourced from PubChem (CID 21204650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).