(5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C17H21N3O3 — CID 95722710

IUPAC(5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1C[C@@]2(CCN(CC(=O)N3CCc4ccccc43)C2)OC1=O
InChIInChI=1S/C17H21N3O3/c1-18-11-17(23-16(18)22)7-9-19(12-17)10-15(21)20-8-6-13-4-2-3-5-14(13)20/h2-5H,6-12H2,1H3/t17-/m1/s1
InChIKeyQKLHOGVJJULWNR-QGZVFWFLSA-N
MW315.37 g/mol
LogP1.10
Rot. Bonds2

About (5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

(5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 95722710) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name(5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID95722710
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESCN1C[C@@]2(CCN(CC(=O)N3CCc4ccccc43)C2)OC1=O
InChIInChI=1S/C17H21N3O3/c1-18-11-17(23-16(18)22)7-9-19(12-17)10-15(21)20-8-6-13-4-2-3-5-14(13)20/h2-5H,6-12H2,1H3/t17-/m1/s1
InChIKeyQKLHOGVJJULWNR-QGZVFWFLSA-N
XLogP1.10
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 103728544
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CID 124975758
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CID 91833895
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CID 78790849
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CID 858988
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CID 741114
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Frequently Asked Questions

What is the IUPAC name of (5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of (5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 95722710) is (5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for (5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for (5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is CN1C[C@@]2(CCN(CC(=O)N3CCc4ccccc43)C2)OC1=O.
What is the InChIKey of (5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is QKLHOGVJJULWNR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-18-11-17(23-16(18)22)7-9-19(12-17)10-15(21)20-8-6-13-4-2-3-5-14(13)20/h2-5H,6-12H2,1H3/t17-/m1/s1.
What are the key properties of (5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
(5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 315.37 g/mol, XLogP of 1.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 95722710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).