(3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one

C11H14N2O — CID 131128791

IUPAC(3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one
SMILESCc1ccc2c(c1C)NC(=O)[C@@]2(C)N
InChIInChI=1S/C11H14N2O/c1-6-4-5-8-9(7(6)2)13-10(14)11(8,3)12/h4-5H,12H2,1-3H3,(H,13,14)/t11-/m0/s1
InChIKeyBYRJOUHHTKXKKF-NSHDSACASA-N
MW190.25 g/mol
LogP1.43
Rot. Bonds

About (3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one

(3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one (PubChem CID 131128791) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one
PubChem CID131128791
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one
SMILESCc1ccc2c(c1C)NC(=O)[C@@]2(C)N
InChIInChI=1S/C11H14N2O/c1-6-4-5-8-9(7(6)2)13-10(14)11(8,3)12/h4-5H,12H2,1-3H3,(H,13,14)/t11-/m0/s1
InChIKeyBYRJOUHHTKXKKF-NSHDSACASA-N
XLogP1.43
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one?
The IUPAC name of (3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one (CID 131128791) is (3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one.
What is the SMILES notation for (3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one?
The canonical SMILES for (3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one is Cc1ccc2c(c1C)NC(=O)[C@@]2(C)N.
What is the InChIKey of (3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one?
The InChIKey is BYRJOUHHTKXKKF-NSHDSACASA-N. The full InChI is InChI=1S/C11H14N2O/c1-6-4-5-8-9(7(6)2)13-10(14)11(8,3)12/h4-5H,12H2,1-3H3,(H,13,14)/t11-/m0/s1.
What are the key properties of (3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one?
(3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one has a molecular weight of 190.25 g/mol, XLogP of 1.43, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one is sourced from PubChem (CID 131128791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).