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

C14H24ClNO2 — CID 50988763

IUPAC(2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
SMILESCC/C(C)=C1\CCC(CN2CCOCC2)C1=O.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-3-11(2)13-5-4-12(14(13)16)10-15-6-8-17-9-7-15;/h12H,3-10H2,1-2H3;1H/b13-11+;
InChIKeyUHKKWYDYVDKPGS-BNSHTTSQSA-N
MW273.80 g/mol
LogP2.45
Rot. Bonds3

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

(2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride (PubChem CID 50988763) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is (2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride.

Molecular Properties

Compound Name(2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
PubChem CID50988763
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name(2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride
SMILESCC/C(C)=C1\CCC(CN2CCOCC2)C1=O.Cl
InChIInChI=1S/C14H23NO2.ClH/c1-3-11(2)13-5-4-12(14(13)16)10-15-6-8-17-9-7-15;/h12H,3-10H2,1-2H3;1H/b13-11+;
InChIKeyUHKKWYDYVDKPGS-BNSHTTSQSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.45
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 (2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride?
The IUPAC name of (2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride (CID 50988763) is (2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride.
What is the SMILES notation for (2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride?
The canonical SMILES for (2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride is CC/C(C)=C1\CCC(CN2CCOCC2)C1=O.Cl.
What is the InChIKey of (2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride?
The InChIKey is UHKKWYDYVDKPGS-BNSHTTSQSA-N. The full InChI is InChI=1S/C14H23NO2.ClH/c1-3-11(2)13-5-4-12(14(13)16)10-15-6-8-17-9-7-15;/h12H,3-10H2,1-2H3;1H/b13-11+;.
What are the key properties of (2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride?
(2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride has a molecular weight of 273.80 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-butan-2-ylidene-5-(morpholin-4-ylmethyl)cyclopentan-1-one;hydrochloride is sourced from PubChem (CID 50988763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).