1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one

C16H17BrClNO3 — CID 108758290

IUPAC1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC(Br)C(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2
InChIInChI=1S/C16H17BrClNO3/c1-10(17)15(21)19-6-4-16(5-7-19)9-13(20)12-8-11(18)2-3-14(12)22-16/h2-3,8,10H,4-7,9H2,1H3
InChIKeyNSHNKFDOPQFEGN-UHFFFAOYSA-N
MW386.67 g/mol
LogP3.45
Rot. Bonds1

About 1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one

1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108758290) has the molecular formula C16H17BrClNO3 and a molecular weight of 386.67 g/mol. Its IUPAC name is 1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108758290
Molecular FormulaC16H17BrClNO3
Molecular Weight386.67 g/mol
Exact Mass385.01
IUPAC Name1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCC(Br)C(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2
InChIInChI=1S/C16H17BrClNO3/c1-10(17)15(21)19-6-4-16(5-7-19)9-13(20)12-8-11(18)2-3-14(12)22-16/h2-3,8,10H,4-7,9H2,1H3
InChIKeyNSHNKFDOPQFEGN-UHFFFAOYSA-N
XLogP3.45
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.67
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-oxo-N-propylspiro[3H-chromene-2,4'-piperidine]-1'-carboxamide
CID 23641501
1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758307
1'-[2-(2-bromo-4-chlorophenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757628
1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735105
butyl 6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735122
1'-(4-chlorobenzoyl)-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 44769674
1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
6-chloro-1'-(3,6-dichloro-2-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735063
6-chloro-1'-(3-methyl-4-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735099
6-chloro-1'-(naphthalene-1-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758396
1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
CID 108735144
5-[2-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 44770169

Frequently Asked Questions

What is the IUPAC name of 1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one (CID 108758290) is 1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one is CC(Br)C(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2.
What is the InChIKey of 1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is NSHNKFDOPQFEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrClNO3/c1-10(17)15(21)19-6-4-16(5-7-19)9-13(20)12-8-11(18)2-3-14(12)22-16/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 386.67 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108758290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).