3-amino-7-propan-2-yl-1,3-dihydroindol-2-one

C11H14N2O — CID 82234602

IUPAC3-amino-7-propan-2-yl-1,3-dihydroindol-2-one
SMILESCC(C)c1cccc2c1NC(=O)C2N
InChIInChI=1S/C11H14N2O/c1-6(2)7-4-3-5-8-9(12)11(14)13-10(7)8/h3-6,9H,12H2,1-2H3,(H,13,14)
InChIKeySQHFICSQGIEVSP-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.76
Rot. Bonds1

About 3-amino-7-propan-2-yl-1,3-dihydroindol-2-one

3-amino-7-propan-2-yl-1,3-dihydroindol-2-one (PubChem CID 82234602) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 3-amino-7-propan-2-yl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name3-amino-7-propan-2-yl-1,3-dihydroindol-2-one
PubChem CID82234602
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name3-amino-7-propan-2-yl-1,3-dihydroindol-2-one
SMILESCC(C)c1cccc2c1NC(=O)C2N
InChIInChI=1S/C11H14N2O/c1-6(2)7-4-3-5-8-9(12)11(14)13-10(7)8/h3-6,9H,12H2,1-2H3,(H,13,14)
InChIKeySQHFICSQGIEVSP-UHFFFAOYSA-N
XLogP1.76
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-7-propan-2-yl-1,3-dihydroindol-2-one?
The IUPAC name of 3-amino-7-propan-2-yl-1,3-dihydroindol-2-one (CID 82234602) is 3-amino-7-propan-2-yl-1,3-dihydroindol-2-one.
What is the SMILES notation for 3-amino-7-propan-2-yl-1,3-dihydroindol-2-one?
The canonical SMILES for 3-amino-7-propan-2-yl-1,3-dihydroindol-2-one is CC(C)c1cccc2c1NC(=O)C2N.
What is the InChIKey of 3-amino-7-propan-2-yl-1,3-dihydroindol-2-one?
The InChIKey is SQHFICSQGIEVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-6(2)7-4-3-5-8-9(12)11(14)13-10(7)8/h3-6,9H,12H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-7-propan-2-yl-1,3-dihydroindol-2-one?
3-amino-7-propan-2-yl-1,3-dihydroindol-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-7-propan-2-yl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82234602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).