(5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone

C17H15N3O — CID 63118310

IUPAC(5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1ccc2[nH]c(C(=O)N3Cc4ccccc4C3)cc2c1
InChIInChI=1S/C17H15N3O/c18-14-5-6-15-13(7-14)8-16(19-15)17(21)20-9-11-3-1-2-4-12(11)10-20/h1-8,19H,9-10,18H2
InChIKeyUCZHPRLPXBVKSS-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.91
Rot. Bonds1

About (5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone

(5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 63118310) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is (5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID63118310
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name(5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESNc1ccc2[nH]c(C(=O)N3Cc4ccccc4C3)cc2c1
InChIInChI=1S/C17H15N3O/c18-14-5-6-15-13(7-14)8-16(19-15)17(21)20-9-11-3-1-2-4-12(11)10-20/h1-8,19H,9-10,18H2
InChIKeyUCZHPRLPXBVKSS-UHFFFAOYSA-N
XLogP2.91
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone (CID 63118310) is (5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone is Nc1ccc2[nH]c(C(=O)N3Cc4ccccc4C3)cc2c1.
What is the InChIKey of (5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is UCZHPRLPXBVKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c18-14-5-6-15-13(7-14)8-16(19-15)17(21)20-9-11-3-1-2-4-12(11)10-20/h1-8,19H,9-10,18H2.
What are the key properties of (5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone?
(5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 277.33 g/mol, XLogP of 2.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1H-indol-2-yl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 63118310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).