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

C14H14N2O2 — CID 83213262

IUPAC(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone
SMILESCc1cc2c(cc1N)N(C(=O)c1ccoc1)CC2
InChIInChI=1S/C14H14N2O2/c1-9-6-10-2-4-16(13(10)7-12(9)15)14(17)11-3-5-18-8-11/h3,5-8H,2,4,15H2,1H3
InChIKeyUUEJBSZOTWJZAJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.37
Rot. Bonds1

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

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone (PubChem CID 83213262) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone.

Molecular Properties

Compound Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone
PubChem CID83213262
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone
SMILESCc1cc2c(cc1N)N(C(=O)c1ccoc1)CC2
InChIInChI=1S/C14H14N2O2/c1-9-6-10-2-4-16(13(10)7-12(9)15)14(17)11-3-5-18-8-11/h3,5-8H,2,4,15H2,1H3
InChIKeyUUEJBSZOTWJZAJ-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

(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-ethylphenyl)methanone
CID 83210065
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methoxyphenyl)methanone
CID 83210260
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-bromo-4-methylthiophen-2-yl)methanone
CID 83212525
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 83210257
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,6-difluorophenyl)methanone
CID 83210072
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
CID 83212528
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-bromo-2-methylphenyl)methanone
CID 83209869
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 83212613
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-bromo-4-fluorophenyl)methanone
CID 83209700
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 83209696
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2-methylsulfanylphenyl)methanone
CID 83209308
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(2,5-difluorophenyl)methanone
CID 83210068

Frequently Asked Questions

What is the IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone?
The IUPAC name of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone (CID 83213262) is (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone.
What is the SMILES notation for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone?
The canonical SMILES for (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone is Cc1cc2c(cc1N)N(C(=O)c1ccoc1)CC2.
What is the InChIKey of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone?
The InChIKey is UUEJBSZOTWJZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-9-6-10-2-4-16(13(10)7-12(9)15)14(17)11-3-5-18-8-11/h3,5-8H,2,4,15H2,1H3.
What are the key properties of (6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone?
(6-amino-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-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-5-methyl-2,3-dihydroindol-1-yl)-(furan-3-yl)methanone is sourced from PubChem (CID 83213262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).