2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride

C16H20ClNO3 — CID 67465718

IUPAC2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
SMILESCCOC=C1CC2(CCN1)CC(=O)c1ccccc1O2.Cl
InChIInChI=1S/C16H19NO3.ClH/c1-2-19-11-12-9-16(7-8-17-12)10-14(18)13-5-3-4-6-15(13)20-16;/h3-6,11,17H,2,7-10H2,1H3;1H
InChIKeyBBTVBEKSTHTSHU-UHFFFAOYSA-N
MW309.79 g/mol
LogP3.07
Rot. Bonds2

About 2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride

2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride (PubChem CID 67465718) has the molecular formula C16H20ClNO3 and a molecular weight of 309.79 g/mol. Its IUPAC name is 2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride.

Molecular Properties

Compound Name2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
PubChem CID67465718
Molecular FormulaC16H20ClNO3
Molecular Weight309.79 g/mol
Exact Mass309.11
IUPAC Name2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride
SMILESCCOC=C1CC2(CCN1)CC(=O)c1ccccc1O2.Cl
InChIInChI=1S/C16H19NO3.ClH/c1-2-19-11-12-9-16(7-8-17-12)10-14(18)13-5-3-4-6-15(13)20-16;/h3-6,11,17H,2,7-10H2,1H3;1H
InChIKeyBBTVBEKSTHTSHU-UHFFFAOYSA-N
XLogP3.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.79
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride?
The IUPAC name of 2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride (CID 67465718) is 2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride.
What is the SMILES notation for 2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride?
The canonical SMILES for 2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride is CCOC=C1CC2(CCN1)CC(=O)c1ccccc1O2.Cl.
What is the InChIKey of 2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride?
The InChIKey is BBTVBEKSTHTSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3.ClH/c1-2-19-11-12-9-16(7-8-17-12)10-14(18)13-5-3-4-6-15(13)20-16;/h3-6,11,17H,2,7-10H2,1H3;1H.
What are the key properties of 2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride?
2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride has a molecular weight of 309.79 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-(ethoxymethylidene)spiro[3H-chromene-2,4'-piperidine]-4-one;hydrochloride is sourced from PubChem (CID 67465718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).