(3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one

C13H12FN3O2 — CID 142619538

IUPAC(3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one
SMILESC[C@H]1NC(=O)c2c1ccc(F)c2NC1=C(N)C(=O)C1
InChIInChI=1S/C13H12FN3O2/c1-5-6-2-3-7(14)12(10(6)13(19)16-5)17-8-4-9(18)11(8)15/h2-3,5,17H,4,15H2,1H3,(H,16,19)/t5-/m1/s1
InChIKeyIYWGVRVYWQOHKQ-RXMQYKEDSA-N
MW261.26 g/mol
LogP1.19
Rot. Bonds2

About (3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one

(3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one (PubChem CID 142619538) has the molecular formula C13H12FN3O2 and a molecular weight of 261.26 g/mol. Its IUPAC name is (3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name(3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one
PubChem CID142619538
Molecular FormulaC13H12FN3O2
Molecular Weight261.26 g/mol
Exact Mass261.09
IUPAC Name(3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one
SMILESC[C@H]1NC(=O)c2c1ccc(F)c2NC1=C(N)C(=O)C1
InChIInChI=1S/C13H12FN3O2/c1-5-6-2-3-7(14)12(10(6)13(19)16-5)17-8-4-9(18)11(8)15/h2-3,5,17H,4,15H2,1H3,(H,16,19)/t5-/m1/s1
InChIKeyIYWGVRVYWQOHKQ-RXMQYKEDSA-N
XLogP1.19
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one with MolForge

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Related Compounds

4-amino-2-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 600596
5-Fluoroisatin
CID 236566
7-Fluoroisatin
CID 586418
4,7-dimethyl-2,3-dihydro-1H-indole-2,3-dione
CID 3264931
3-Acetamidophthalimide
CID 138666
6-Fluoroisatin
CID 373905
4-methyl-2,3-dihydro-1H-indole-2,3-dione
CID 583906
1-Ethyl-5-fluoro-1h-indole-2,3-dione
CID 4736863
Acetamide, N-(2-(2,6-dioxo-3-piperidinyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl)-
CID 21988622
1H-Isoindole-1,3(2H)-dione, 2-methyl-4-(methylamino)-
CID 75996
11-Fluoro-3,3-dimethyl-6,7,16-triazatetracyclo[11.2.1.05,15.09,14]hexadeca-5(15),6,9(14),10,12-pentaene-2,8-dione
CID 137083653
4-amino-2,3-dihydro-1H-isoindol-1-one
CID 9855513

Frequently Asked Questions

What is the IUPAC name of (3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one?
The IUPAC name of (3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one (CID 142619538) is (3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for (3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one?
The canonical SMILES for (3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one is C[C@H]1NC(=O)c2c1ccc(F)c2NC1=C(N)C(=O)C1.
What is the InChIKey of (3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one?
The InChIKey is IYWGVRVYWQOHKQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C13H12FN3O2/c1-5-6-2-3-7(14)12(10(6)13(19)16-5)17-8-4-9(18)11(8)15/h2-3,5,17H,4,15H2,1H3,(H,16,19)/t5-/m1/s1.
What are the key properties of (3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one?
(3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one has a molecular weight of 261.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-[(2-amino-3-oxocyclobuten-1-yl)amino]-6-fluoro-3-methyl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 142619538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).