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

C16H17NO3 — CID 82173107

IUPAC5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one
SMILESCc1c(C(O)c2ccco2)cc2c(c1C)NC(=O)C2C
InChIInChI=1S/C16H17NO3/c1-8-9(2)14-11(10(3)16(19)17-14)7-12(8)15(18)13-5-4-6-20-13/h4-7,10,15,18H,1-3H3,(H,17,19)
InChIKeyPHIBGZPDHGCDMT-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.03
Rot. Bonds2

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

5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one (PubChem CID 82173107) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one
PubChem CID82173107
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one
SMILESCc1c(C(O)c2ccco2)cc2c(c1C)NC(=O)C2C
InChIInChI=1S/C16H17NO3/c1-8-9(2)14-11(10(3)16(19)17-14)7-12(8)15(18)13-5-4-6-20-13/h4-7,10,15,18H,1-3H3,(H,17,19)
InChIKeyPHIBGZPDHGCDMT-UHFFFAOYSA-N
XLogP3.03
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-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 5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one (CID 82173107) is 5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one is Cc1c(C(O)c2ccco2)cc2c(c1C)NC(=O)C2C.
What is the InChIKey of 5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one?
The InChIKey is PHIBGZPDHGCDMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-8-9(2)14-11(10(3)16(19)17-14)7-12(8)15(18)13-5-4-6-20-13/h4-7,10,15,18H,1-3H3,(H,17,19).
What are the key properties of 5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one?
5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one has a molecular weight of 271.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[furan-2-yl(hydroxy)methyl]-3,6,7-trimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).