5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one

C12H16N2O — CID 82190449

IUPAC5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(CCCN)cc21
InChIInChI=1S/C12H16N2O/c1-8-10-7-9(3-2-6-13)4-5-11(10)14-12(8)15/h4-5,7-8H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyGMALVUINCYUJEY-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.63
Rot. Bonds3

About 5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one

5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82190449) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one
PubChem CID82190449
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one
SMILESCC1C(=O)Nc2ccc(CCCN)cc21
InChIInChI=1S/C12H16N2O/c1-8-10-7-9(3-2-6-13)4-5-11(10)14-12(8)15/h4-5,7-8H,2-3,6,13H2,1H3,(H,14,15)
InChIKeyGMALVUINCYUJEY-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115318993
6-(3-aminopropyl)-2-ethyl-4H-1,4-benzoxazin-3-one
CID 82339508
3-(3-aminopropylamino)-5-ethyl-1,3-dihydroindol-2-one
CID 114993784
[2-[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 2-(4-butylphenyl)acetate
CID 8632825
3-methyl-5-(piperidin-2-ylmethyl)-1,3-dihydroindol-2-one
CID 117363131
5-(2-aminoethyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
CID 82190576
7-(3-aminopropyl)-3,5-dimethyl-1,3-dihydroindol-2-one
CID 82190537
3-(2-aminoethylamino)-5-ethyl-1,3-dihydroindol-2-one
CID 82238898
(3S)-5-(2-chloroacetyl)-3-methyl-1,3-dihydroindol-2-one
CID 7129467
3-(3-methyl-2,3-dihydro-1H-indol-6-yl)propan-1-amine
CID 117203805
6-(2-aminoethyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 22623121
5-[5-(2-hydroxyethyl)-3-pyridinyl]-3-methyl-1,3-dihydroindol-2-one
CID 141283969

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one (CID 82190449) is 5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one is CC1C(=O)Nc2ccc(CCCN)cc21.
What is the InChIKey of 5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is GMALVUINCYUJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-8-10-7-9(3-2-6-13)4-5-11(10)14-12(8)15/h4-5,7-8H,2-3,6,13H2,1H3,(H,14,15).
What are the key properties of 5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one?
5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminopropyl)-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82190449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).