5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one

C17H24N2O2 — CID 82172376

IUPAC5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one
SMILESCCN1C(=O)C(C)(C)c2cc(C(N)C3CCCO3)ccc21
InChIInChI=1S/C17H24N2O2/c1-4-19-13-8-7-11(15(18)14-6-5-9-21-14)10-12(13)17(2,3)16(19)20/h7-8,10,14-15H,4-6,9,18H2,1-3H3
InChIKeyHDFFQWPGSIDTEI-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.51
Rot. Bonds3

About 5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one

5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one (PubChem CID 82172376) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one.

Molecular Properties

Compound Name5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one
PubChem CID82172376
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one
SMILESCCN1C(=O)C(C)(C)c2cc(C(N)C3CCCO3)ccc21
InChIInChI=1S/C17H24N2O2/c1-4-19-13-8-7-11(15(18)14-6-5-9-21-14)10-12(13)17(2,3)16(19)20/h7-8,10,14-15H,4-6,9,18H2,1-3H3
InChIKeyHDFFQWPGSIDTEI-UHFFFAOYSA-N
XLogP2.51
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one?
The IUPAC name of 5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one (CID 82172376) is 5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one.
What is the SMILES notation for 5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one?
The canonical SMILES for 5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one is CCN1C(=O)C(C)(C)c2cc(C(N)C3CCCO3)ccc21.
What is the InChIKey of 5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one?
The InChIKey is HDFFQWPGSIDTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-4-19-13-8-7-11(15(18)14-6-5-9-21-14)10-12(13)17(2,3)16(19)20/h7-8,10,14-15H,4-6,9,18H2,1-3H3.
What are the key properties of 5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one?
5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[amino(oxolan-2-yl)methyl]-1-ethyl-3,3-dimethylindol-2-one is sourced from PubChem (CID 82172376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).