5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one

C14H19ClN2O — CID 82173824

IUPAC5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one
SMILESCCCC(N)c1cc2c(c(C)c1Cl)NC(=O)C2C
InChIInChI=1S/C14H19ClN2O/c1-4-5-11(16)10-6-9-7(2)14(18)17-13(9)8(3)12(10)15/h6-7,11H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyLQIRXGNMXQXSCE-UHFFFAOYSA-N
MW266.77 g/mol
LogP3.50
Rot. Bonds3

About 5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one

5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one (PubChem CID 82173824) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is 5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one
PubChem CID82173824
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one
SMILESCCCC(N)c1cc2c(c(C)c1Cl)NC(=O)C2C
InChIInChI=1S/C14H19ClN2O/c1-4-5-11(16)10-6-9-7(2)14(18)17-13(9)8(3)12(10)15/h6-7,11H,4-5,16H2,1-3H3,(H,17,18)
InChIKeyLQIRXGNMXQXSCE-UHFFFAOYSA-N
XLogP3.50
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one (CID 82173824) is 5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one is CCCC(N)c1cc2c(c(C)c1Cl)NC(=O)C2C.
What is the InChIKey of 5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one?
The InChIKey is LQIRXGNMXQXSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-4-5-11(16)10-6-9-7(2)14(18)17-13(9)8(3)12(10)15/h6-7,11H,4-5,16H2,1-3H3,(H,17,18).
What are the key properties of 5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one?
5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one has a molecular weight of 266.77 g/mol, XLogP of 3.50, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminobutyl)-6-chloro-3,7-dimethyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 82173824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).