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

C19H34ClNO2 — CID 54612513

IUPAC(5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride
SMILESCCCCCCCC/C=C1\CCC(CN2CCOCC2)C1=O.Cl
InChIInChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-9-17-10-11-18(19(17)21)16-20-12-14-22-15-13-20;/h9,18H,2-8,10-16H2,1H3;1H/b17-9+;
InChIKeyVCXGYAPRRGELNZ-WWIHJBQESA-N
MW343.94 g/mol
LogP4.40
Rot. Bonds9

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

(5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride (PubChem CID 54612513) has the molecular formula C19H34ClNO2 and a molecular weight of 343.94 g/mol. Its IUPAC name is (5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride.

Molecular Properties

Compound Name(5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride
PubChem CID54612513
Molecular FormulaC19H34ClNO2
Molecular Weight343.94 g/mol
Exact Mass343.23
IUPAC Name(5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride
SMILESCCCCCCCC/C=C1\CCC(CN2CCOCC2)C1=O.Cl
InChIInChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-9-17-10-11-18(19(17)21)16-20-12-14-22-15-13-20;/h9,18H,2-8,10-16H2,1H3;1H/b17-9+;
InChIKeyVCXGYAPRRGELNZ-WWIHJBQESA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.94
LogP ≤ 54.40
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 (5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride?
The IUPAC name of (5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride (CID 54612513) is (5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride.
What is the SMILES notation for (5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride?
The canonical SMILES for (5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride is CCCCCCCC/C=C1\CCC(CN2CCOCC2)C1=O.Cl.
What is the InChIKey of (5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride?
The InChIKey is VCXGYAPRRGELNZ-WWIHJBQESA-N. The full InChI is InChI=1S/C19H33NO2.ClH/c1-2-3-4-5-6-7-8-9-17-10-11-18(19(17)21)16-20-12-14-22-15-13-20;/h9,18H,2-8,10-16H2,1H3;1H/b17-9+;.
What are the key properties of (5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride?
(5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride has a molecular weight of 343.94 g/mol, XLogP of 4.40, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-(morpholin-4-ylmethyl)-5-nonylidenecyclopentan-1-one;hydrochloride is sourced from PubChem (CID 54612513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).