1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one

C19H19NO3 — CID 100760781

IUPAC1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one
SMILESCC(=O)N1CCC2(CC1)CC(=O)c1ccc3ccccc3c1O2
InChIInChI=1S/C19H19NO3/c1-13(21)20-10-8-19(9-11-20)12-17(22)16-7-6-14-4-2-3-5-15(14)18(16)23-19/h2-7H,8-12H2,1H3
InChIKeyPBVCDAWXGCHRQE-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.19
Rot. Bonds

About 1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one

1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one (PubChem CID 100760781) has the molecular formula C19H19NO3 and a molecular weight of 309.36 g/mol. Its IUPAC name is 1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one
PubChem CID100760781
Molecular FormulaC19H19NO3
Molecular Weight309.36 g/mol
Exact Mass309.14
IUPAC Name1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one
SMILESCC(=O)N1CCC2(CC1)CC(=O)c1ccc3ccccc3c1O2
InChIInChI=1S/C19H19NO3/c1-13(21)20-10-8-19(9-11-20)12-17(22)16-7-6-14-4-2-3-5-15(14)18(16)23-19/h2-7H,8-12H2,1H3
InChIKeyPBVCDAWXGCHRQE-UHFFFAOYSA-N
XLogP3.19
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762645
1'-(2-chloroacetyl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734821
7,8-dimethyl-1'-(4-naphthalen-2-yloxybutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758139
2-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]isoindole-1,3-dione
CID 108758078
1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734267
1'-(3-chloropropanoyl)-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758148
1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762684
N-[2-(7,8-dimethyl-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]benzamide
CID 108758056
7,8-dimethyl-1'-(3-phenoxypropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734805
methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108740066
6-chloro-1'-(naphthalene-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758396
1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 100761498

Frequently Asked Questions

What is the IUPAC name of 1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one (CID 100760781) is 1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one is CC(=O)N1CCC2(CC1)CC(=O)c1ccc3ccccc3c1O2.
What is the InChIKey of 1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one?
The InChIKey is PBVCDAWXGCHRQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-13(21)20-10-8-19(9-11-20)12-17(22)16-7-6-14-4-2-3-5-15(14)18(16)23-19/h2-7H,8-12H2,1H3.
What are the key properties of 1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one?
1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one has a molecular weight of 309.36 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetylspiro[3H-benzo[h]chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 100760781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).