methane;5-propan-2-yl-1,3-dihydroindol-2-one

C12H17NO — CID 160830162

IUPACmethane;5-propan-2-yl-1,3-dihydroindol-2-one
SMILESC.CC(C)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H13NO.CH4/c1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;/h3-5,7H,6H2,1-2H3,(H,12,13);1H4
InChIKeySGRRVEFMVZFRNU-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.94
Rot. Bonds1

About methane;5-propan-2-yl-1,3-dihydroindol-2-one

methane;5-propan-2-yl-1,3-dihydroindol-2-one (PubChem CID 160830162) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is methane;5-propan-2-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Namemethane;5-propan-2-yl-1,3-dihydroindol-2-one
PubChem CID160830162
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Namemethane;5-propan-2-yl-1,3-dihydroindol-2-one
SMILESC.CC(C)c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C11H13NO.CH4/c1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;/h3-5,7H,6H2,1-2H3,(H,12,13);1H4
InChIKeySGRRVEFMVZFRNU-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
molecular hydrogen;7-propan-2-yl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 176993371
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-(1-bromo-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61096734
5-(1-chloro-2,2-dimethylpropyl)-1,3-dihydroindol-2-one
CID 61084779
2-(methylamino)-2-(2-oxo-1,3-dihydroindol-5-yl)acetonitrile
CID 116955002
2-methyl-3-(methylamino)-3-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 116953331
5-[2-(ethylamino)-1-hydroxypropyl]-1,3-dihydroindol-2-one
CID 82290690
5-[amino(naphthalen-2-yl)methyl]-1,3-dihydroindol-2-one
CID 43824898
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458

Frequently Asked Questions

What is the IUPAC name of methane;5-propan-2-yl-1,3-dihydroindol-2-one?
The IUPAC name of methane;5-propan-2-yl-1,3-dihydroindol-2-one (CID 160830162) is methane;5-propan-2-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for methane;5-propan-2-yl-1,3-dihydroindol-2-one?
The canonical SMILES for methane;5-propan-2-yl-1,3-dihydroindol-2-one is C.CC(C)c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of methane;5-propan-2-yl-1,3-dihydroindol-2-one?
The InChIKey is SGRRVEFMVZFRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.CH4/c1-7(2)8-3-4-10-9(5-8)6-11(13)12-10;/h3-5,7H,6H2,1-2H3,(H,12,13);1H4.
What are the key properties of methane;5-propan-2-yl-1,3-dihydroindol-2-one?
methane;5-propan-2-yl-1,3-dihydroindol-2-one has a molecular weight of 191.27 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;5-propan-2-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 160830162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).