5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one

C13H18N2O2 — CID 82290690

IUPAC5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one
SMILESCCNC(C)C(O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H18N2O2/c1-3-14-8(2)13(17)9-4-5-11-10(6-9)7-12(16)15-11/h4-6,8,13-14,17H,3,7H2,1-2H3,(H,15,16)
InChIKeyUHHGQSRBYWPZAZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.21
Rot. Bonds4

About 5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one

5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one (PubChem CID 82290690) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one
PubChem CID82290690
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one
SMILESCCNC(C)C(O)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H18N2O2/c1-3-14-8(2)13(17)9-4-5-11-10(6-9)7-12(16)15-11/h4-6,8,13-14,17H,3,7H2,1-2H3,(H,15,16)
InChIKeyUHHGQSRBYWPZAZ-UHFFFAOYSA-N
XLogP1.21
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-hydroxy-2-phenylbutyl)-1,3-dihydroindol-2-one
CID 61088892
4-hydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)-3-(propylamino)butanoic acid
CID 82349920
methyl 2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propanoate
CID 171864289
methyl 3,4-dihydroxy-4-(2-oxo-1,3-dihydroindol-5-yl)butanoate
CID 171895821
N-[2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propyl]acetamide
CID 170830289
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
5-[(3-bromophenyl)-(ethylamino)methyl]-1,3-dihydroindol-2-one
CID 43491531
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
5-[1-(dimethylamino)-2-hydroxyethyl]-1,3-dihydroindol-2-one
CID 116857239
2-methyl-3-(methylamino)-N-[1-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 119736221

Frequently Asked Questions

What is the IUPAC name of 5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one (CID 82290690) is 5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one is CCNC(C)C(O)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one?
The InChIKey is UHHGQSRBYWPZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-3-14-8(2)13(17)9-4-5-11-10(6-9)7-12(16)15-11/h4-6,8,13-14,17H,3,7H2,1-2H3,(H,15,16).
What are the key properties of 5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one?
5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 82290690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).