(6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone

C14H14N2O2 — CID 28776949

IUPAC(6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCc3ccc(N)cc32)o1
InChIInChI=1S/C14H14N2O2/c1-9-2-5-13(18-9)14(17)16-7-6-10-3-4-11(15)8-12(10)16/h2-5,8H,6-7,15H2,1H3
InChIKeyQGPHOVFVFCJHIY-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.37
Rot. Bonds1

About (6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone

(6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone (PubChem CID 28776949) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name(6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone
PubChem CID28776949
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCc3ccc(N)cc32)o1
InChIInChI=1S/C14H14N2O2/c1-9-2-5-13(18-9)14(17)16-7-6-10-3-4-11(15)8-12(10)16/h2-5,8H,6-7,15H2,1H3
InChIKeyQGPHOVFVFCJHIY-UHFFFAOYSA-N
XLogP2.37
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methylfuran-2-carbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 43217662
(6-amino-2,3-dihydroindol-1-yl)-(5-bromo-2-methylphenyl)methanone
CID 65306128
(6-amino-2,3-dihydroindol-1-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 107674453
(5-bromofuran-2-yl)-(6-fluoro-2,3-dihydroindol-1-yl)methanone
CID 113228436
(6-amino-2,3-dihydroindol-1-yl)-(2,5-dibromothiophen-3-yl)methanone
CID 107959291
6-amino-N-ethyl-2,3-dihydroindole-1-carboxamide
CID 43164814
1-[1-(5-aminofuran-2-carbonyl)-2,3-dihydroindol-5-yl]ethanone
CID 82344236
(6-amino-2,3-dihydroindol-1-yl)-(3-iodophenyl)methanone
CID 28978839
1-(6-amino-2,3-dihydroindol-1-yl)-2-(3-methylphenyl)ethanone
CID 62389016
1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336564
(4-hydroxyimino-2,3-dihydroquinolin-1-yl)-(5-methylfuran-2-yl)methanone
CID 77033785
(6-bromo-2,3-dihydroindol-1-yl)-[5-(methoxymethyl)furan-2-yl]methanone
CID 56788508

Frequently Asked Questions

What is the IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone?
The IUPAC name of (6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone (CID 28776949) is (6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone.
What is the SMILES notation for (6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone?
The canonical SMILES for (6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone is Cc1ccc(C(=O)N2CCc3ccc(N)cc32)o1.
What is the InChIKey of (6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone?
The InChIKey is QGPHOVFVFCJHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-2-5-13(18-9)14(17)16-7-6-10-3-4-11(15)8-12(10)16/h2-5,8H,6-7,15H2,1H3.
What are the key properties of (6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone?
(6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone has a molecular weight of 242.28 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2,3-dihydroindol-1-yl)-(5-methylfuran-2-yl)methanone is sourced from PubChem (CID 28776949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).