5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one

C15H21ClN2O — CID 82173770

IUPAC5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one
SMILESCCC(C)C(N)c1cc(Cl)c2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C15H21ClN2O/c1-5-8(2)12(17)9-6-10-13(11(16)7-9)18-14(19)15(10,3)4/h6-8,12H,5,17H2,1-4H3,(H,18,19)
InChIKeyHKJPERAOSFVCQC-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.62
Rot. Bonds3

About 5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one

5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one (PubChem CID 82173770) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one
PubChem CID82173770
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one
SMILESCCC(C)C(N)c1cc(Cl)c2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C15H21ClN2O/c1-5-8(2)12(17)9-6-10-13(11(16)7-9)18-14(19)15(10,3)4/h6-8,12H,5,17H2,1-4H3,(H,18,19)
InChIKeyHKJPERAOSFVCQC-UHFFFAOYSA-N
XLogP3.62
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one (CID 82173770) is 5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one is CCC(C)C(N)c1cc(Cl)c2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one?
The InChIKey is HKJPERAOSFVCQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-5-8(2)12(17)9-6-10-13(11(16)7-9)18-14(19)15(10,3)4/h6-8,12H,5,17H2,1-4H3,(H,18,19).
What are the key properties of 5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one?
5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one has a molecular weight of 280.80 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-methylbutyl)-7-chloro-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82173770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).