(3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide

C16H18N2O2 — CID 2208451

IUPAC(3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide
SMILESNC(=O)C(=O)/C=C1\NC2(CCCC2)Cc2ccccc21
InChIInChI=1S/C16H18N2O2/c17-15(20)14(19)9-13-12-6-2-1-5-11(12)10-16(18-13)7-3-4-8-16/h1-2,5-6,9,18H,3-4,7-8,10H2,(H2,17,20)/b13-9-
InChIKeyODMVMKCAPITMND-LCYFTJDESA-N
MW270.33 g/mol
LogP1.54
Rot. Bonds2

About (3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide

(3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide (PubChem CID 2208451) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide.

Molecular Properties

Compound Name(3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide
PubChem CID2208451
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide
SMILESNC(=O)C(=O)/C=C1\NC2(CCCC2)Cc2ccccc21
InChIInChI=1S/C16H18N2O2/c17-15(20)14(19)9-13-12-6-2-1-5-11(12)10-16(18-13)7-3-4-8-16/h1-2,5-6,9,18H,3-4,7-8,10H2,(H2,17,20)/b13-9-
InChIKeyODMVMKCAPITMND-LCYFTJDESA-N
XLogP1.54
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide?
The IUPAC name of (3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide (CID 2208451) is (3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide.
What is the SMILES notation for (3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide?
The canonical SMILES for (3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide is NC(=O)C(=O)/C=C1\NC2(CCCC2)Cc2ccccc21.
What is the InChIKey of (3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide?
The InChIKey is ODMVMKCAPITMND-LCYFTJDESA-N. The full InChI is InChI=1S/C16H18N2O2/c17-15(20)14(19)9-13-12-6-2-1-5-11(12)10-16(18-13)7-3-4-8-16/h1-2,5-6,9,18H,3-4,7-8,10H2,(H2,17,20)/b13-9-.
What are the key properties of (3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide?
(3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide has a molecular weight of 270.33 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-2-oxo-3-spiro[2,4-dihydroisoquinoline-3,1'-cyclopentane]-1-ylidenepropanamide is sourced from PubChem (CID 2208451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).