(2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one

C16H27NO2 — CID 6374898

IUPAC(2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one
SMILESCCCCC/C=C1\CCC(CN2CCOCC2)C1=O
InChIInChI=1S/C16H27NO2/c1-2-3-4-5-6-14-7-8-15(16(14)18)13-17-9-11-19-12-10-17/h6,15H,2-5,7-13H2,1H3/b14-6+
InChIKeyJCWAEVPZMUWWLA-MKMNVTDBSA-N
MW265.40 g/mol
LogP2.80
Rot. Bonds6

About (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one

(2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one (PubChem CID 6374898) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one.

Molecular Properties

Compound Name(2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one
PubChem CID6374898
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name(2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one
SMILESCCCCC/C=C1\CCC(CN2CCOCC2)C1=O
InChIInChI=1S/C16H27NO2/c1-2-3-4-5-6-14-7-8-15(16(14)18)13-17-9-11-19-12-10-17/h6,15H,2-5,7-13H2,1H3/b14-6+
InChIKeyJCWAEVPZMUWWLA-MKMNVTDBSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The IUPAC name of (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one (CID 6374898) is (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one.
What is the SMILES notation for (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The canonical SMILES for (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one is CCCCC/C=C1\CCC(CN2CCOCC2)C1=O.
What is the InChIKey of (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
The InChIKey is JCWAEVPZMUWWLA-MKMNVTDBSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-3-4-5-6-14-7-8-15(16(14)18)13-17-9-11-19-12-10-17/h6,15H,2-5,7-13H2,1H3/b14-6+.
What are the key properties of (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one?
(2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one has a molecular weight of 265.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one is sourced from PubChem (CID 6374898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).