4-propan-2-yl-1,3-dihydroindol-2-one

C11H13NO — CID 20698714

IUPAC4-propan-2-yl-1,3-dihydroindol-2-one
SMILESCC(C)c1cccc2c1CC(=O)N2
InChIInChI=1S/C11H13NO/c1-7(2)8-4-3-5-10-9(8)6-11(13)12-10/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyUXLHXSXSERMHPO-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.30
Rot. Bonds1

About 4-propan-2-yl-1,3-dihydroindol-2-one

4-propan-2-yl-1,3-dihydroindol-2-one (PubChem CID 20698714) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-propan-2-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-propan-2-yl-1,3-dihydroindol-2-one
PubChem CID20698714
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-propan-2-yl-1,3-dihydroindol-2-one
SMILESCC(C)c1cccc2c1CC(=O)N2
InChIInChI=1S/C11H13NO/c1-7(2)8-4-3-5-10-9(8)6-11(13)12-10/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyUXLHXSXSERMHPO-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-oxo-1,3-dihydroindol-4-yl)butanal
CID 117291451
4-[1-hydroxy-2-(methylamino)ethyl]-1,3-dihydroindol-2-one;methanol
CID 91279377
4-(2-hydroxypropan-2-yl)-1,3-dihydroindol-2-one
CID 117282361
4-(bromomethyl)-1,3-dihydroindol-2-one
CID 90008900
1,8-di(propan-2-yl)-9H-fluorene
CID 160592533
4-[2-(dimethylamino)ethyl]-1,3-dihydroindol-2-one
CID 70333765
4-propan-2-yl-1,3-dihydro-1,5-benzodiazepin-2-one
CID 22288234
2-(2-oxo-1,3-dihydroindol-4-yl)acetonitrile
CID 84766189
2,2-dimethyl-3-(2-oxo-1,3-dihydroindol-4-yl)propanoic acid
CID 117337995
4-methyl-5-propan-2-yloxy-1,3-dihydroindol-2-one
CID 71155097
4-(5-propan-2-yloxy-3-pyridinyl)-1,3-dihydroindol-2-one
CID 167982525
1,3-dihydroindol-2-one;ethane
CID 54350510

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1,3-dihydroindol-2-one?
The IUPAC name of 4-propan-2-yl-1,3-dihydroindol-2-one (CID 20698714) is 4-propan-2-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-propan-2-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 4-propan-2-yl-1,3-dihydroindol-2-one is CC(C)c1cccc2c1CC(=O)N2.
What is the InChIKey of 4-propan-2-yl-1,3-dihydroindol-2-one?
The InChIKey is UXLHXSXSERMHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7(2)8-4-3-5-10-9(8)6-11(13)12-10/h3-5,7H,6H2,1-2H3,(H,12,13).
What are the key properties of 4-propan-2-yl-1,3-dihydroindol-2-one?
4-propan-2-yl-1,3-dihydroindol-2-one has a molecular weight of 175.23 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 20698714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).