5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one

C18H17NO2 — CID 61087937

IUPAC5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3ccc4c(c3)CCC4)ccc2N1
InChIInChI=1S/C18H17NO2/c20-17-10-15-9-14(6-7-16(15)19-17)18(21)13-5-4-11-2-1-3-12(11)8-13/h4-9,18,21H,1-3,10H2,(H,19,20)
InChIKeyXYRSVAKHJXADDU-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.75
Rot. Bonds2

About 5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one

5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one (PubChem CID 61087937) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one
PubChem CID61087937
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(O)c3ccc4c(c3)CCC4)ccc2N1
InChIInChI=1S/C18H17NO2/c20-17-10-15-9-14(6-7-16(15)19-17)18(21)13-5-4-11-2-1-3-12(11)8-13/h4-9,18,21H,1-3,10H2,(H,19,20)
InChIKeyXYRSVAKHJXADDU-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[bromo(2,3-dihydro-1H-inden-5-yl)methyl]-1,3-dihydroindol-2-one
CID 61098131
5-[(3,5-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61087016
5-[hydroxy(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 61088505
5-[(3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61088889
5-[(4-chloro-3-fluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 107991147
5-[(2,6-difluorophenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 61086834
7-[(3-fluorophenyl)-hydroxymethyl]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082022
5-[(3-fluoro-4-methoxyphenyl)-hydroxymethyl]-1,3-dihydroindol-2-one
CID 62920423
2,3-dihydro-1H-inden-5-yl-(4-fluorophenyl)methanol
CID 61100715
5-[hydroxy-(2,3,4-trifluorophenyl)methyl]-1,3-dihydroindol-2-one
CID 79755388
2-oxo-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)propyl]-1,3-dihydroindole-5-carboxamide
CID 108784618
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one (CID 61087937) is 5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one is O=C1Cc2cc(C(O)c3ccc4c(c3)CCC4)ccc2N1.
What is the InChIKey of 5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one?
The InChIKey is XYRSVAKHJXADDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-17-10-15-9-14(6-7-16(15)19-17)18(21)13-5-4-11-2-1-3-12(11)8-13/h4-9,18,21H,1-3,10H2,(H,19,20).
What are the key properties of 5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one?
5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-dihydro-1H-inden-5-yl(hydroxy)methyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 61087937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).