3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one

C18H19NO4 — CID 5182435

IUPAC3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)N(C(C)C)c3ccccc32)o1
InChIInChI=1S/C18H19NO4/c1-11(2)19-14-7-5-4-6-13(14)18(22,17(19)21)10-15(20)16-9-8-12(3)23-16/h4-9,11,22H,10H2,1-3H3
InChIKeyKYPBXJMZMDCXIL-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.80
Rot. Bonds4

About 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one

3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one (PubChem CID 5182435) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one.

Molecular Properties

Compound Name3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one
PubChem CID5182435
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one
SMILESCc1ccc(C(=O)CC2(O)C(=O)N(C(C)C)c3ccccc32)o1
InChIInChI=1S/C18H19NO4/c1-11(2)19-14-7-5-4-6-13(14)18(22,17(19)21)10-15(20)16-9-8-12(3)23-16/h4-9,11,22H,10H2,1-3H3
InChIKeyKYPBXJMZMDCXIL-UHFFFAOYSA-N
XLogP2.80
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one?
The IUPAC name of 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one (CID 5182435) is 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one.
What is the SMILES notation for 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one?
The canonical SMILES for 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one is Cc1ccc(C(=O)CC2(O)C(=O)N(C(C)C)c3ccccc32)o1.
What is the InChIKey of 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one?
The InChIKey is KYPBXJMZMDCXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-11(2)19-14-7-5-4-6-13(14)18(22,17(19)21)10-15(20)16-9-8-12(3)23-16/h4-9,11,22H,10H2,1-3H3.
What are the key properties of 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one?
3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one has a molecular weight of 313.35 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-[2-(5-methylfuran-2-yl)-2-oxoethyl]-1-propan-2-ylindol-2-one is sourced from PubChem (CID 5182435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).