6-bromo-2-cyclopropyl-3H-isoindol-1-one

C11H10BrNO — CID 52988041

IUPAC6-bromo-2-cyclopropyl-3H-isoindol-1-one
SMILESO=C1c2cc(Br)ccc2CN1C1CC1
InChIInChI=1S/C11H10BrNO/c12-8-2-1-7-6-13(9-3-4-9)11(14)10(7)5-8/h1-2,5,9H,3-4,6H2
InChIKeyNEJCKAFHTYFEGR-UHFFFAOYSA-N
MW252.11 g/mol
LogP2.57
Rot. Bonds1

About 6-bromo-2-cyclopropyl-3H-isoindol-1-one

6-bromo-2-cyclopropyl-3H-isoindol-1-one (PubChem CID 52988041) has the molecular formula C11H10BrNO and a molecular weight of 252.11 g/mol. Its IUPAC name is 6-bromo-2-cyclopropyl-3H-isoindol-1-one.

Molecular Properties

Compound Name6-bromo-2-cyclopropyl-3H-isoindol-1-one
PubChem CID52988041
Molecular FormulaC11H10BrNO
Molecular Weight252.11 g/mol
Exact Mass250.99
IUPAC Name6-bromo-2-cyclopropyl-3H-isoindol-1-one
SMILESO=C1c2cc(Br)ccc2CN1C1CC1
InChIInChI=1S/C11H10BrNO/c12-8-2-1-7-6-13(9-3-4-9)11(14)10(7)5-8/h1-2,5,9H,3-4,6H2
InChIKeyNEJCKAFHTYFEGR-UHFFFAOYSA-N
XLogP2.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.11
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Bromo-2-(2,6-dioxopiperidin-3-yl)isoindoline-1,3-dione
CID 44435680
N-(4-Bromobutyl)phthalimide
CID 93575
1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-
CID 11325
4-Bromoisoindolin-1-one
CID 21907509
N-3-Bromopropylphthalimide
CID 21611
N-(5-Bromopentyl)phthalimide
CID 136770
N-(6-Bromohexyl)phthalimide
CID 141120
4-Bromophthalimide
CID 236018
(3-Bromobenzoyl)pyrrolidine
CID 766188
4-Bromo-N-methylphthalimide
CID 790105
4-Bromo-2,N-dimethyl-N-(1-methyl-1-aza-spiro[4.5]dec-6-yl)-benzamide
CID 14548225
(4-Bromophenyl)(pyrrolidin-1-yl)methanone
CID 819718

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-cyclopropyl-3H-isoindol-1-one?
The IUPAC name of 6-bromo-2-cyclopropyl-3H-isoindol-1-one (CID 52988041) is 6-bromo-2-cyclopropyl-3H-isoindol-1-one.
What is the SMILES notation for 6-bromo-2-cyclopropyl-3H-isoindol-1-one?
The canonical SMILES for 6-bromo-2-cyclopropyl-3H-isoindol-1-one is O=C1c2cc(Br)ccc2CN1C1CC1.
What is the InChIKey of 6-bromo-2-cyclopropyl-3H-isoindol-1-one?
The InChIKey is NEJCKAFHTYFEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO/c12-8-2-1-7-6-13(9-3-4-9)11(14)10(7)5-8/h1-2,5,9H,3-4,6H2.
What are the key properties of 6-bromo-2-cyclopropyl-3H-isoindol-1-one?
6-bromo-2-cyclopropyl-3H-isoindol-1-one has a molecular weight of 252.11 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-cyclopropyl-3H-isoindol-1-one is sourced from PubChem (CID 52988041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).