7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione

C14H14BrNO2 — CID 63632927

IUPAC7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione
SMILESO=C1CC2(CCc3cc(Br)ccc3C2)CC(=O)N1
InChIInChI=1S/C14H14BrNO2/c15-11-2-1-10-6-14(4-3-9(10)5-11)7-12(17)16-13(18)8-14/h1-2,5H,3-4,6-8H2,(H,16,17,18)
InChIKeyRFWUYEPPNUUDME-UHFFFAOYSA-N
MW308.17 g/mol
LogP2.36
Rot. Bonds

About 7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione

7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione (PubChem CID 63632927) has the molecular formula C14H14BrNO2 and a molecular weight of 308.17 g/mol. Its IUPAC name is 7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione.

Molecular Properties

Compound Name7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione
PubChem CID63632927
Molecular FormulaC14H14BrNO2
Molecular Weight308.17 g/mol
Exact Mass307.02
IUPAC Name7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione
SMILESO=C1CC2(CCc3cc(Br)ccc3C2)CC(=O)N1
InChIInChI=1S/C14H14BrNO2/c15-11-2-1-10-6-14(4-3-9(10)5-11)7-12(17)16-13(18)8-14/h1-2,5H,3-4,6-8H2,(H,16,17,18)
InChIKeyRFWUYEPPNUUDME-UHFFFAOYSA-N
XLogP2.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.17
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-6-bromospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 124572209
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980
2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 57352291
2-amino-6-bromo-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63630629
2-(7-bromo-2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)acetic acid
CID 63633057
6-bromo-2-hydroxy-3,4-dihydro-1H-naphthalene-2-carbonitrile
CID 63632235
7-bromo-4'-imino-1'-propan-2-ylspiro[2,4-dihydro-1H-naphthalene-3,5'-imidazolidine]-2'-one
CID 138389810
7'-bromo-4-methylspiro[1,3-dioxolane-2,3'-2,4-dihydro-1H-naphthalene]
CID 57276089
3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione
CID 77040438
6-bromo-2-(furan-2-yl)-3,4-dihydro-1H-naphthalen-2-ol
CID 63948544
6'-bromospiro[1,4-dihydroimidazole-5,3'-2,4-dihydro-1H-naphthalene]
CID 58467136
6-bromo-3,3-dimethyl-2,4-dihydro-1H-naphthalene
CID 144794657

Frequently Asked Questions

What is the IUPAC name of 7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione?
The IUPAC name of 7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione (CID 63632927) is 7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione.
What is the SMILES notation for 7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione?
The canonical SMILES for 7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione is O=C1CC2(CCc3cc(Br)ccc3C2)CC(=O)N1.
What is the InChIKey of 7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione?
The InChIKey is RFWUYEPPNUUDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c15-11-2-1-10-6-14(4-3-9(10)5-11)7-12(17)16-13(18)8-14/h1-2,5H,3-4,6-8H2,(H,16,17,18).
What are the key properties of 7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione?
7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione has a molecular weight of 308.17 g/mol, XLogP of 2.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromospiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]-2',6'-dione is sourced from PubChem (CID 63632927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).