6-chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one

C14H17ClN2O2 — CID 43487581

IUPAC6-chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1cc2c(cc1Cl)NC(=O)C2)C1CCCO1
InChIInChI=1S/C14H17ClN2O2/c1-16-14(12-3-2-4-19-12)9-5-8-6-13(18)17-11(8)7-10(9)15/h5,7,12,14,16H,2-4,6H2,1H3,(H,17,18)
InChIKeyQPEZODQSLDXJLN-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.27
Rot. Bonds3

About 6-chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one

6-chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one (PubChem CID 43487581) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is 6-chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one
PubChem CID43487581
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC Name6-chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one
SMILESCNC(c1cc2c(cc1Cl)NC(=O)C2)C1CCCO1
InChIInChI=1S/C14H17ClN2O2/c1-16-14(12-3-2-4-19-12)9-5-8-6-13(18)17-11(8)7-10(9)15/h5,7,12,14,16H,2-4,6H2,1H3,(H,17,18)
InChIKeyQPEZODQSLDXJLN-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one (CID 43487581) is 6-chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one is CNC(c1cc2c(cc1Cl)NC(=O)C2)C1CCCO1.
What is the InChIKey of 6-chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one?
The InChIKey is QPEZODQSLDXJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c1-16-14(12-3-2-4-19-12)9-5-8-6-13(18)17-11(8)7-10(9)15/h5,7,12,14,16H,2-4,6H2,1H3,(H,17,18).
What are the key properties of 6-chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one?
6-chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one has a molecular weight of 280.75 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[methylamino(oxolan-2-yl)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 43487581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).