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

C16H28ClNO2 — CID 21141930

IUPAC(2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
SMILESCCCCC/C=C1\CCC(CN2CCOCC2)C1=O.Cl
InChIInChI=1S/C16H27NO2.ClH/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;1H/b14-6+;
InChIKeyXTEDSHVEEBVSPK-JSSTZBRYSA-N
MW301.86 g/mol
LogP3.23
Rot. Bonds6

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

(2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride (PubChem CID 21141930) has the molecular formula C16H28ClNO2 and a molecular weight of 301.86 g/mol. Its IUPAC name is (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride.

Molecular Properties

Compound Name(2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
PubChem CID21141930
Molecular FormulaC16H28ClNO2
Molecular Weight301.86 g/mol
Exact Mass301.18
IUPAC Name(2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
SMILESCCCCC/C=C1\CCC(CN2CCOCC2)C1=O.Cl
InChIInChI=1S/C16H27NO2.ClH/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;1H/b14-6+;
InChIKeyXTEDSHVEEBVSPK-JSSTZBRYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.86
LogP ≤ 53.23
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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Related Compounds

2-(Morpholin-4-ylmethyl)-5-propan-2-ylidenecyclopentan-1-one;hydrochloride
CID 368458
(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride
CID 5467291
(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
CID 5467296
(2E)-2-decylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
CID 5467302
(2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
CID 50988763
(2E)-2-(2-methylpropylidene)-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
CID 54608095
Cyclopentanone, 2-pentylidene-5-[(1-piperidinyl)methyl]-hydrochloride
CID 54608096
(5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride
CID 54612513
4,4-Dimethyl-6-(morpholin-4-ylmethyl)cyclohex-2-en-1-one
CID 57208953
2-(Morpholin-4-ylmethyl)-5-propan-2-ylidenecyclopentan-1-one
CID 368459
(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one
CID 5467292
(2E)-2-heptylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one
CID 5467297

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride?
The IUPAC name of (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride (CID 21141930) is (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride.
What is the SMILES notation for (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride?
The canonical SMILES for (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride is CCCCC/C=C1\CCC(CN2CCOCC2)C1=O.Cl.
What is the InChIKey of (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride?
The InChIKey is XTEDSHVEEBVSPK-JSSTZBRYSA-N. The full InChI is InChI=1S/C16H27NO2.ClH/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;1H/b14-6+;.
What are the key properties of (2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride?
(2E)-2-hexylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride has a molecular weight of 301.86 g/mol, XLogP of 3.23, 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;hydrochloride is sourced from PubChem (CID 21141930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).