5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one

C13H17ClN2O — CID 82173710

IUPAC5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
SMILESCCCC(N)c1cc(Cl)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C13H17ClN2O/c1-3-4-11(15)8-5-9-7(2)13(17)16-12(9)10(14)6-8/h5-7,11H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyDUBKAFGOPSTHLS-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.20
Rot. Bonds3

About 5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one

5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one (PubChem CID 82173710) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
PubChem CID82173710
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one
SMILESCCCC(N)c1cc(Cl)c2c(c1)C(C)C(=O)N2
InChIInChI=1S/C13H17ClN2O/c1-3-4-11(15)8-5-9-7(2)13(17)16-12(9)10(14)6-8/h5-7,11H,3-4,15H2,1-2H3,(H,16,17)
InChIKeyDUBKAFGOPSTHLS-UHFFFAOYSA-N
XLogP3.20
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one (CID 82173710) is 5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one is CCCC(N)c1cc(Cl)c2c(c1)C(C)C(=O)N2.
What is the InChIKey of 5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one?
The InChIKey is DUBKAFGOPSTHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-3-4-11(15)8-5-9-7(2)13(17)16-12(9)10(14)6-8/h5-7,11H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one?
5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one has a molecular weight of 252.74 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminobutyl)-7-chloro-3-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).