4,4-dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one

C14H21NO2 — CID 57147361

IUPAC4,4-dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
SMILESC=C1C(=O)C=CC(C)(C)C1CN1CCOCC1
InChIInChI=1S/C14H21NO2/c1-11-12(10-15-6-8-17-9-7-15)14(2,3)5-4-13(11)16/h4-5,12H,1,6-10H2,2-3H3
InChIKeyWGIFRSKVCJJRKO-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.66
Rot. Bonds2

About 4,4-dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one

4,4-dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one (PubChem CID 57147361) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4,4-dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name4,4-dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
PubChem CID57147361
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4,4-dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
SMILESC=C1C(=O)C=CC(C)(C)C1CN1CCOCC1
InChIInChI=1S/C14H21NO2/c1-11-12(10-15-6-8-17-9-7-15)14(2,3)5-4-13(11)16/h4-5,12H,1,6-10H2,2-3H3
InChIKeyWGIFRSKVCJJRKO-UHFFFAOYSA-N
XLogP1.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
The IUPAC name of 4,4-dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one (CID 57147361) is 4,4-dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 4,4-dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
The canonical SMILES for 4,4-dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one is C=C1C(=O)C=CC(C)(C)C1CN1CCOCC1.
What is the InChIKey of 4,4-dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
The InChIKey is WGIFRSKVCJJRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-12(10-15-6-8-17-9-7-15)14(2,3)5-4-13(11)16/h4-5,12H,1,6-10H2,2-3H3.
What are the key properties of 4,4-dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one?
4,4-dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one has a molecular weight of 235.33 g/mol, XLogP of 1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-methylidene-5-(morpholin-4-ylmethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 57147361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).