molecular hydrogen;1,3,5,6-tetrahydroindol-2-one

C8H11NO — CID 142303542

IUPACmolecular hydrogen;1,3,5,6-tetrahydroindol-2-one
SMILESO=C1CC2=CCCC=C2N1.[H][H]
InChIInChI=1S/C8H9NO.H2/c10-8-5-6-3-1-2-4-7(6)9-8;/h3-4H,1-2,5H2,(H,9,10);1H
InChIKeyYRVOLKGACOEZDQ-UHFFFAOYSA-N
MW137.18 g/mol
LogP1.36
Rot. Bonds

About molecular hydrogen;1,3,5,6-tetrahydroindol-2-one

molecular hydrogen;1,3,5,6-tetrahydroindol-2-one (PubChem CID 142303542) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is molecular hydrogen;1,3,5,6-tetrahydroindol-2-one.

Molecular Properties

Compound Namemolecular hydrogen;1,3,5,6-tetrahydroindol-2-one
PubChem CID142303542
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Namemolecular hydrogen;1,3,5,6-tetrahydroindol-2-one
SMILESO=C1CC2=CCCC=C2N1.[H][H]
InChIInChI=1S/C8H9NO.H2/c10-8-5-6-3-1-2-4-7(6)9-8;/h3-4H,1-2,5H2,(H,9,10);1H
InChIKeyYRVOLKGACOEZDQ-UHFFFAOYSA-N
XLogP1.36
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Tetrahydroindolone
CID 21615589
5-fluoro-3,7-dihydro-1H-cyclohepta[b]pyrrol-2-one
CID 89364750
3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one;ethane
CID 145414261
6-fluoro-5-methyl-3-methylidene-5,6-dihydro-1H-indol-2-one
CID 145486992
3,3-difluoro-5,6-dihydro-1H-indol-2-one;molecular hydrogen
CID 156714923
5-Fluoro-1,3,6,7-tetrahydroindol-2-one
CID 163518938
3,3-difluoro-4-methyl-5,6-dihydro-1H-indol-2-one
CID 145414262
3,3-difluoro-5,6-dihydro-1H-indol-2-one
CID 156714924
3-Ethyl-4-methyl-2,7-dihydrocyclopenta[c]pyridin-1-one
CID 20720242
6-methyl-3,5-dihydro-1H-indol-5-id-2-one;yttrium
CID 57566098
6-methyl-3,4-dihydro-1H-indol-4-id-2-one;vanadium
CID 59703576
5-methyl-3,4-dihydro-1H-indol-4-id-2-one;yttrium
CID 59971443

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1,3,5,6-tetrahydroindol-2-one?
The IUPAC name of molecular hydrogen;1,3,5,6-tetrahydroindol-2-one (CID 142303542) is molecular hydrogen;1,3,5,6-tetrahydroindol-2-one.
What is the SMILES notation for molecular hydrogen;1,3,5,6-tetrahydroindol-2-one?
The canonical SMILES for molecular hydrogen;1,3,5,6-tetrahydroindol-2-one is O=C1CC2=CCCC=C2N1.[H][H].
What is the InChIKey of molecular hydrogen;1,3,5,6-tetrahydroindol-2-one?
The InChIKey is YRVOLKGACOEZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO.H2/c10-8-5-6-3-1-2-4-7(6)9-8;/h3-4H,1-2,5H2,(H,9,10);1H.
What are the key properties of molecular hydrogen;1,3,5,6-tetrahydroindol-2-one?
molecular hydrogen;1,3,5,6-tetrahydroindol-2-one has a molecular weight of 137.18 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1,3,5,6-tetrahydroindol-2-one is sourced from PubChem (CID 142303542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).