3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one

C17H19NO3 — CID 82173141

IUPAC3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(C(O)c1ccco1)c(C)c2C
InChIInChI=1S/C17H19NO3/c1-4-11-13-8-12(16(19)14-6-5-7-21-14)9(2)10(3)15(13)18-17(11)20/h5-8,11,16,19H,4H2,1-3H3,(H,18,20)
InChIKeyFZGZFIIXUCYWOC-UHFFFAOYSA-N
MW285.34 g/mol
LogP3.42
Rot. Bonds3

About 3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one

3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one (PubChem CID 82173141) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one
PubChem CID82173141
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one
SMILESCCC1C(=O)Nc2c1cc(C(O)c1ccco1)c(C)c2C
InChIInChI=1S/C17H19NO3/c1-4-11-13-8-12(16(19)14-6-5-7-21-14)9(2)10(3)15(13)18-17(11)20/h5-8,11,16,19H,4H2,1-3H3,(H,18,20)
InChIKeyFZGZFIIXUCYWOC-UHFFFAOYSA-N
XLogP3.42
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one (CID 82173141) is 3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one is CCC1C(=O)Nc2c1cc(C(O)c1ccco1)c(C)c2C.
What is the InChIKey of 3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is FZGZFIIXUCYWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-4-11-13-8-12(16(19)14-6-5-7-21-14)9(2)10(3)15(13)18-17(11)20/h5-8,11,16,19H,4H2,1-3H3,(H,18,20).
What are the key properties of 3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one?
3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 285.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[furan-2-yl(hydroxy)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).