5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one

C13H18N2O — CID 116924938

IUPAC5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one
SMILESCC(CN)CCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H18N2O/c1-9(8-14)2-3-10-4-5-12-11(6-10)7-13(16)15-12/h4-6,9H,2-3,7-8,14H2,1H3,(H,15,16)
InChIKeyJDWBBCZGXMRHRD-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.71
Rot. Bonds4

About 5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one

5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one (PubChem CID 116924938) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one
PubChem CID116924938
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one
SMILESCC(CN)CCc1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C13H18N2O/c1-9(8-14)2-3-10-4-5-12-11(6-10)7-13(16)15-12/h4-6,9H,2-3,7-8,14H2,1H3,(H,15,16)
InChIKeyJDWBBCZGXMRHRD-UHFFFAOYSA-N
XLogP1.71
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-[4-aminobutan-2-yl(methyl)amino]ethyl]-1,3-dihydroindol-2-one
CID 117040458
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
5-butyl-1,3-dihydroindol-2-one
CID 10219749
5-(2-hydroxyethyl)-1,3-dihydroindol-2-one
CID 22131131
N-(1-aminopropan-2-yl)-N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)butanamide;hydrochloride
CID 119583698
5-(4-aminooxybutyl)-1,3-dihydroindol-2-one
CID 95443741
2-amino-3-hydroxy-N-[2-(2-oxo-1,3-dihydroindol-5-yl)ethyl]propanamide
CID 115180068
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
5-[[(3-amino-2-hydroxypropyl)-methylamino]methyl]-1,3-dihydroindol-2-one
CID 115121496
(2-oxo-1,3-dihydroindol-5-yl)methylazanium
CID 25324745
5-(methoxymethyl)-1,3-dihydroindol-2-one
CID 22154148
5-[2-(hydroxymethylamino)ethyl]-1,3-dihydroindol-2-one
CID 115229299

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one (CID 116924938) is 5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one is CC(CN)CCc1ccc2c(c1)CC(=O)N2.
What is the InChIKey of 5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one?
The InChIKey is JDWBBCZGXMRHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(8-14)2-3-10-4-5-12-11(6-10)7-13(16)15-12/h4-6,9H,2-3,7-8,14H2,1H3,(H,15,16).
What are the key properties of 5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one?
5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one has a molecular weight of 218.30 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-amino-3-methylbutyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 116924938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).