(2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone

C19H24N2O2 — CID 5409550

IUPAC(2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone
SMILESO=C(/C=C1\NC2(CCCC2)Cc2ccccc21)N1CCOCC1
InChIInChI=1S/C19H24N2O2/c22-18(21-9-11-23-12-10-21)13-17-16-6-2-1-5-15(16)14-19(20-17)7-3-4-8-19/h1-2,5-6,13,20H,3-4,7-12,14H2/b17-13-
InChIKeyAIYNFUFJDLLNBI-LGMDPLHJSA-N
MW312.41 g/mol
LogP2.34
Rot. Bonds1

About (2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone

(2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone (PubChem CID 5409550) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone.

Molecular Properties

Compound Name(2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone
PubChem CID5409550
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone
SMILESO=C(/C=C1\NC2(CCCC2)Cc2ccccc21)N1CCOCC1
InChIInChI=1S/C19H24N2O2/c22-18(21-9-11-23-12-10-21)13-17-16-6-2-1-5-15(16)14-19(20-17)7-3-4-8-19/h1-2,5-6,13,20H,3-4,7-12,14H2/b17-13-
InChIKeyAIYNFUFJDLLNBI-LGMDPLHJSA-N
XLogP2.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
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 (2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone?
The IUPAC name of (2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone (CID 5409550) is (2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone.
What is the SMILES notation for (2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone?
The canonical SMILES for (2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone is O=C(/C=C1\NC2(CCCC2)Cc2ccccc21)N1CCOCC1.
What is the InChIKey of (2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone?
The InChIKey is AIYNFUFJDLLNBI-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18(21-9-11-23-12-10-21)13-17-16-6-2-1-5-15(16)14-19(20-17)7-3-4-8-19/h1-2,5-6,13,20H,3-4,7-12,14H2/b17-13-.
What are the key properties of (2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone?
(2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone has a molecular weight of 312.41 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-morpholin-4-yl-2-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylideneethanone is sourced from PubChem (CID 5409550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).