5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one

C12H12BrNO — CID 23158277

IUPAC5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one
SMILESO=C1c2ccc(Br)cc2CN1CC1CC1
InChIInChI=1S/C12H12BrNO/c13-10-3-4-11-9(5-10)7-14(12(11)15)6-8-1-2-8/h3-5,8H,1-2,6-7H2
InChIKeySARKYXPNCHPBDG-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.81
Rot. Bonds2

About 5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one

5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one (PubChem CID 23158277) has the molecular formula C12H12BrNO and a molecular weight of 266.14 g/mol. Its IUPAC name is 5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one
PubChem CID23158277
Molecular FormulaC12H12BrNO
Molecular Weight266.14 g/mol
Exact Mass265.01
IUPAC Name5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one
SMILESO=C1c2ccc(Br)cc2CN1CC1CC1
InChIInChI=1S/C12H12BrNO/c13-10-3-4-11-9(5-10)7-14(12(11)15)6-8-1-2-8/h3-5,8H,1-2,6-7H2
InChIKeySARKYXPNCHPBDG-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1H-Isoindole-1,3(2H)-dione, 2-(2-bromoethyl)-
CID 11325
2-Methyl-2,3-dihydro-1H-isoindol-1-one
CID 220657
4-Bromoisoindolin-1-one
CID 21907509
N-3-Bromopropylphthalimide
CID 21611
N-(4-Bromobutyl)phthalimide
CID 93575
N-(5-Bromopentyl)phthalimide
CID 136770
N-(6-Bromohexyl)phthalimide
CID 141120
4-Bromophthalimide
CID 236018
N-(8-Bromooctyl)phthalimide
CID 253681
4-bromo-N,N-diethylbenzamide
CID 4498254
(3-Bromobenzoyl)pyrrolidine
CID 766188
4-Bromo-N-methylphthalimide
CID 790105

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one?
The IUPAC name of 5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one (CID 23158277) is 5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one.
What is the SMILES notation for 5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one?
The canonical SMILES for 5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one is O=C1c2ccc(Br)cc2CN1CC1CC1.
What is the InChIKey of 5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one?
The InChIKey is SARKYXPNCHPBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO/c13-10-3-4-11-9(5-10)7-14(12(11)15)6-8-1-2-8/h3-5,8H,1-2,6-7H2.
What are the key properties of 5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one?
5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one has a molecular weight of 266.14 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one is sourced from PubChem (CID 23158277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).