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

C15H26ClNO2 — CID 5467291

IUPAC(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride
SMILESCCCC/C=C1\CCC(CN2CCOCC2)C1=O.Cl
InChIInChI=1S/C15H25NO2.ClH/c1-2-3-4-5-13-6-7-14(15(13)17)12-16-8-10-18-11-9-16;/h5,14H,2-4,6-12H2,1H3;1H/b13-5+;
InChIKeyBGPKXKMFENYSDC-CMZQJCRFSA-N
MW287.83 g/mol
LogP2.84
Rot. Bonds5

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

(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride (PubChem CID 5467291) has the molecular formula C15H26ClNO2 and a molecular weight of 287.83 g/mol. Its IUPAC name is (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride.

Molecular Properties

Compound Name(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride
PubChem CID5467291
Molecular FormulaC15H26ClNO2
Molecular Weight287.83 g/mol
Exact Mass287.17
IUPAC Name(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride
SMILESCCCC/C=C1\CCC(CN2CCOCC2)C1=O.Cl
InChIInChI=1S/C15H25NO2.ClH/c1-2-3-4-5-13-6-7-14(15(13)17)12-16-8-10-18-11-9-16;/h5,14H,2-4,6-12H2,1H3;1H/b13-5+;
InChIKeyBGPKXKMFENYSDC-CMZQJCRFSA-N
XLogP2.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.83
LogP ≤ 52.84
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-pentylidenecyclopentan-1-one;hydrochloride?
The IUPAC name of (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride (CID 5467291) is (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride.
What is the SMILES notation for (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride?
The canonical SMILES for (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride is CCCC/C=C1\CCC(CN2CCOCC2)C1=O.Cl.
What is the InChIKey of (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride?
The InChIKey is BGPKXKMFENYSDC-CMZQJCRFSA-N. The full InChI is InChI=1S/C15H25NO2.ClH/c1-2-3-4-5-13-6-7-14(15(13)17)12-16-8-10-18-11-9-16;/h5,14H,2-4,6-12H2,1H3;1H/b13-5+;.
What are the key properties of (5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride?
(5E)-2-(morpholin-4-ylmethyl)-5-pentylidenecyclopentan-1-one;hydrochloride has a molecular weight of 287.83 g/mol, XLogP of 2.84, 5 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-pentylidenecyclopentan-1-one;hydrochloride is sourced from PubChem (CID 5467291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).