3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione

C14H12BrNO2 — CID 77040438

IUPAC3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione
SMILESO=C1CC(=C2CCc3cc(Br)ccc3C2)C(=O)N1
InChIInChI=1S/C14H12BrNO2/c15-11-4-3-8-5-10(2-1-9(8)6-11)12-7-13(17)16-14(12)18/h3-4,6H,1-2,5,7H2,(H,16,17,18)
InChIKeyFNBZSUFJPNTECX-UHFFFAOYSA-N
MW306.16 g/mol
LogP2.28
Rot. Bonds

About 3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione

3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione (PubChem CID 77040438) has the molecular formula C14H12BrNO2 and a molecular weight of 306.16 g/mol. Its IUPAC name is 3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione
PubChem CID77040438
Molecular FormulaC14H12BrNO2
Molecular Weight306.16 g/mol
Exact Mass305.01
IUPAC Name3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione
SMILESO=C1CC(=C2CCc3cc(Br)ccc3C2)C(=O)N1
InChIInChI=1S/C14H12BrNO2/c15-11-4-3-8-5-10(2-1-9(8)6-11)12-7-13(17)16-14(12)18/h3-4,6H,1-2,5,7H2,(H,16,17,18)
InChIKeyFNBZSUFJPNTECX-UHFFFAOYSA-N
XLogP2.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3E)-3-[(4-bromophenyl)methylidene]pyrrolidine-2,5-dione
CID 44627214
3-[(3-Bromo-4-fluorophenyl)methylidene]pyrrolidine-2,5-dione
CID 77039965
3-[1-(3-Bromo-4-fluorophenyl)ethylidene]pyrrolidine-2,5-dione
CID 77040128
3-[(5-Bromo-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione
CID 77040250
3-[(4-Bromo-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione
CID 77040372
(3Z)-3-[(4-bromo-3-fluorophenyl)methylidene]pyrrolidine-2,5-dione
CID 81440537
(3E)-3-[1-(4-bromo-2-fluorophenyl)ethylidene]pyrrolidine-2,5-dione
CID 82973794
(3E)-3-[1-(5-bromo-2-fluorophenyl)ethylidene]pyrrolidine-2,5-dione
CID 82973894
7-bromospiro[2,4-dihydro-1H-naphthalene-3,3'-pyrrolidine]-2',5'-dione
CID 20447091
(3E)-3-[(3-bromophenyl)methylidene]pyrrolidine-2,5-dione
CID 64436287
3-[(3-Bromophenyl)methylidene]pyrrolidine-2,5-dione
CID 77040200
(3Z)-3-[1-(4-bromophenyl)propylidene]pyrrolidine-2,5-dione
CID 64437160

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione?
The IUPAC name of 3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione (CID 77040438) is 3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione is O=C1CC(=C2CCc3cc(Br)ccc3C2)C(=O)N1.
What is the InChIKey of 3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione?
The InChIKey is FNBZSUFJPNTECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO2/c15-11-4-3-8-5-10(2-1-9(8)6-11)12-7-13(17)16-14(12)18/h3-4,6H,1-2,5,7H2,(H,16,17,18).
What are the key properties of 3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione?
3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione has a molecular weight of 306.16 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromo-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 77040438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).