2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione

C20H18BrNO2 — CID 143906558

IUPAC2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione
SMILESCC1CC(c2ccc(Br)cc2)(N2C(=O)C3=C(CC=CC=C3)C2=O)C1
InChIInChI=1S/C20H18BrNO2/c1-13-11-20(12-13,14-7-9-15(21)10-8-14)22-18(23)16-5-3-2-4-6-17(16)19(22)24/h2-5,7-10,13H,6,11-12H2,1H3
InChIKeyIYYHZKPQOKJTPE-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.26
Rot. Bonds2

About 2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione

2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione (PubChem CID 143906558) has the molecular formula C20H18BrNO2 and a molecular weight of 384.27 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione
PubChem CID143906558
Molecular FormulaC20H18BrNO2
Molecular Weight384.27 g/mol
Exact Mass383.05
IUPAC Name2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione
SMILESCC1CC(c2ccc(Br)cc2)(N2C(=O)C3=C(CC=CC=C3)C2=O)C1
InChIInChI=1S/C20H18BrNO2/c1-13-11-20(12-13,14-7-9-15(21)10-8-14)22-18(23)16-5-3-2-4-6-17(16)19(22)24/h2-5,7-10,13H,6,11-12H2,1H3
InChIKeyIYYHZKPQOKJTPE-UHFFFAOYSA-N
XLogP4.26
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-bromophenyl)-3-hydroxycyclobutyl]isoindole-1,3-dione
CID 58034749
trans-(1R,2S)-1-(4-bromophenyl)-2-methylcyclopropane-1-carbonitrile
CID 177150775
1-[1-(4-bromophenyl)-2-methylcyclopropyl]-N-methylmethanamine
CID 83729543
cis-(1S,2R)-2-(4-bromophenyl)-2-methylcyclopropan-1-amine
CID 94419650
1-(4-bromophenyl)-4-methylpyrrolidin-2-one
CID 76800077
bromobenzene;formic acid;1,1,2-trimethylcyclopropane
CID 144977863
1-(4-bromophenyl)-2-methylcyclopentan-1-amine
CID 79679716
3-(4-bromophenyl)-3-(1,3-dihydroisoindol-2-yl)cyclobutan-1-ol
CID 91382973
1-[1-(4-bromophenyl)cyclohexa-2,4-dien-1-yl]benzimidazole
CID 68770605
4-(4-bromophenyl)-2,8-dimethyl-1-thia-4-azaspiro[4.5]decan-3-one
CID 17385360
2-[2-(4-bromophenoxy)ethyl]-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513805
1-[1-(4-bromophenyl)cyclopropyl]piperidin-4-ol
CID 167714055

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione?
The IUPAC name of 2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione (CID 143906558) is 2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione.
What is the SMILES notation for 2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione?
The canonical SMILES for 2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione is CC1CC(c2ccc(Br)cc2)(N2C(=O)C3=C(CC=CC=C3)C2=O)C1.
What is the InChIKey of 2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione?
The InChIKey is IYYHZKPQOKJTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO2/c1-13-11-20(12-13,14-7-9-15(21)10-8-14)22-18(23)16-5-3-2-4-6-17(16)19(22)24/h2-5,7-10,13H,6,11-12H2,1H3.
What are the key properties of 2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione?
2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione has a molecular weight of 384.27 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione is sourced from PubChem (CID 143906558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).