6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one

C17H22N2O4 — CID 128984479

IUPAC6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
SMILESCOC[C@@H]1C[C@H](OC)CN1C(=O)Cc1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C17H22N2O4/c1-22-10-13-8-14(23-2)9-19(13)17(21)6-11-3-4-12-7-16(20)18-15(12)5-11/h3-5,13-14H,6-10H2,1-2H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyAAYKTUMPQWNVDD-KBPBESRZSA-N
MW318.37 g/mol
LogP0.99
Rot. Bonds5

About 6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one

6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one (PubChem CID 128984479) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
PubChem CID128984479
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
SMILESCOC[C@@H]1C[C@H](OC)CN1C(=O)Cc1ccc2c(c1)NC(=O)C2
InChIInChI=1S/C17H22N2O4/c1-22-10-13-8-14(23-2)9-19(13)17(21)6-11-3-4-12-7-16(20)18-15(12)5-11/h3-5,13-14H,6-10H2,1-2H3,(H,18,20)/t13-,14-/m0/s1
InChIKeyAAYKTUMPQWNVDD-KBPBESRZSA-N
XLogP0.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
The IUPAC name of 6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one (CID 128984479) is 6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one is COC[C@@H]1C[C@H](OC)CN1C(=O)Cc1ccc2c(c1)NC(=O)C2.
What is the InChIKey of 6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
The InChIKey is AAYKTUMPQWNVDD-KBPBESRZSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-22-10-13-8-14(23-2)9-19(13)17(21)6-11-3-4-12-7-16(20)18-15(12)5-11/h3-5,13-14H,6-10H2,1-2H3,(H,18,20)/t13-,14-/m0/s1.
What are the key properties of 6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one?
6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one has a molecular weight of 318.37 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 128984479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).