6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one

C16H14ClNO3 — CID 65151637

IUPAC6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one
SMILESCc1oc(C)c(C(=O)c2cc3c(cc2Cl)NC(=O)C3)c1C
InChIInChI=1S/C16H14ClNO3/c1-7-8(2)21-9(3)15(7)16(20)11-4-10-5-14(19)18-13(10)6-12(11)17/h4,6H,5H2,1-3H3,(H,18,19)
InChIKeyZMYXMRKIMMVWHD-UHFFFAOYSA-N
MW303.75 g/mol
LogP3.58
Rot. Bonds2

About 6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one

6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 65151637) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is 6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one
PubChem CID65151637
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one
SMILESCc1oc(C)c(C(=O)c2cc3c(cc2Cl)NC(=O)C3)c1C
InChIInChI=1S/C16H14ClNO3/c1-7-8(2)21-9(3)15(7)16(20)11-4-10-5-14(19)18-13(10)6-12(11)17/h4,6H,5H2,1-3H3,(H,18,19)
InChIKeyZMYXMRKIMMVWHD-UHFFFAOYSA-N
XLogP3.58
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one (CID 65151637) is 6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one is Cc1oc(C)c(C(=O)c2cc3c(cc2Cl)NC(=O)C3)c1C.
What is the InChIKey of 6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is ZMYXMRKIMMVWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO3/c1-7-8(2)21-9(3)15(7)16(20)11-4-10-5-14(19)18-13(10)6-12(11)17/h4,6H,5H2,1-3H3,(H,18,19).
What are the key properties of 6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one?
6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 303.75 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 65151637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).