(3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one

C17H14N2O — CID 53348652

IUPAC(3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one
SMILESCn1cc([C@@H]2NC(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C17H14N2O/c1-19-10-14(11-6-4-5-9-15(11)19)16-12-7-2-3-8-13(12)17(20)18-16/h2-10,16H,1H3,(H,18,20)/t16-/m1/s1
InChIKeyMOQJZJNXFMJOGB-MRXNPFEDSA-N
MW262.31 g/mol
LogP3.01
Rot. Bonds1

About (3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one

(3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one (PubChem CID 53348652) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is (3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name(3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one
PubChem CID53348652
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name(3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one
SMILESCn1cc([C@@H]2NC(=O)c3ccccc32)c2ccccc21
InChIInChI=1S/C17H14N2O/c1-19-10-14(11-6-4-5-9-15(11)19)16-12-7-2-3-8-13(12)17(20)18-16/h2-10,16H,1H3,(H,18,20)/t16-/m1/s1
InChIKeyMOQJZJNXFMJOGB-MRXNPFEDSA-N
XLogP3.01
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of (3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one (CID 53348652) is (3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for (3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for (3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one is Cn1cc([C@@H]2NC(=O)c3ccccc32)c2ccccc21.
What is the InChIKey of (3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is MOQJZJNXFMJOGB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H14N2O/c1-19-10-14(11-6-4-5-9-15(11)19)16-12-7-2-3-8-13(12)17(20)18-16/h2-10,16H,1H3,(H,18,20)/t16-/m1/s1.
What are the key properties of (3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one?
(3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 262.31 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1-methylindol-3-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 53348652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).