5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one

C15H16N2O2 — CID 79095790

IUPAC5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCCc1ccc(C(N)c2ccc3c(c2)CC(=O)N3)o1
InChIInChI=1S/C15H16N2O2/c1-2-11-4-6-13(19-11)15(16)9-3-5-12-10(7-9)8-14(18)17-12/h3-7,15H,2,8,16H2,1H3,(H,17,18)
InChIKeyNTSBUFSIZLCBOR-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.38
Rot. Bonds3

About 5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one

5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 79095790) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID79095790
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCCc1ccc(C(N)c2ccc3c(c2)CC(=O)N3)o1
InChIInChI=1S/C15H16N2O2/c1-2-11-4-6-13(19-11)15(16)9-3-5-12-10(7-9)8-14(18)17-12/h3-7,15H,2,8,16H2,1H3,(H,17,18)
InChIKeyNTSBUFSIZLCBOR-UHFFFAOYSA-N
XLogP2.38
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(5-ethylfuran-2-yl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 79096703
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[amino-(3,5-dichlorophenyl)methyl]-1,3-dihydroindol-2-one
CID 43096298
5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43198852
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458
5-[amino(naphthalen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43824898
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[amino-[3-(methylamino)phenyl]methyl]-1,3-dihydroindol-2-one
CID 116936683
5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one
CID 116835597
6-[amino-(5-bromofuran-2-yl)methyl]-3,4-dihydro-1H-quinolin-2-one
CID 43464148
5-[amino(1H-pyrazol-4-yl)methyl]-1,3-dihydroindol-2-one
CID 114988519

Frequently Asked Questions

What is the IUPAC name of 5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one (CID 79095790) is 5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one is CCc1ccc(C(N)c2ccc3c(c2)CC(=O)N3)o1.
What is the InChIKey of 5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is NTSBUFSIZLCBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-2-11-4-6-13(19-11)15(16)9-3-5-12-10(7-9)8-14(18)17-12/h3-7,15H,2,8,16H2,1H3,(H,17,18).
What are the key properties of 5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one?
5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 256.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino-(5-ethylfuran-2-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 79095790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).