2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium

C11H15N2O+ — CID 6954862

IUPAC2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium
SMILESCN1C(=O)[C@H](CC[NH3+])c2ccccc21
InChIInChI=1S/C11H14N2O/c1-13-10-5-3-2-4-8(10)9(6-7-12)11(13)14/h2-5,9H,6-7,12H2,1H3/p+1/t9-/m1/s1
InChIKeyVATRUKMROZDIMO-SECBINFHSA-O
MW191.25 g/mol
LogP0.38
Rot. Bonds2

About 2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium

2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium (PubChem CID 6954862) has the molecular formula C11H15N2O+ and a molecular weight of 191.25 g/mol. Its IUPAC name is 2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium.

Molecular Properties

Compound Name2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium
PubChem CID6954862
Molecular FormulaC11H15N2O+
Molecular Weight191.25 g/mol
Exact Mass191.12
IUPAC Name2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium
SMILESCN1C(=O)[C@H](CC[NH3+])c2ccccc21
InChIInChI=1S/C11H14N2O/c1-13-10-5-3-2-4-8(10)9(6-7-12)11(13)14/h2-5,9H,6-7,12H2,1H3/p+1/t9-/m1/s1
InChIKeyVATRUKMROZDIMO-SECBINFHSA-O
XLogP0.38
TPSA47.95 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium?
The IUPAC name of 2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium (CID 6954862) is 2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium.
What is the SMILES notation for 2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium?
The canonical SMILES for 2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium is CN1C(=O)[C@H](CC[NH3+])c2ccccc21.
What is the InChIKey of 2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium?
The InChIKey is VATRUKMROZDIMO-SECBINFHSA-O. The full InChI is InChI=1S/C11H14N2O/c1-13-10-5-3-2-4-8(10)9(6-7-12)11(13)14/h2-5,9H,6-7,12H2,1H3/p+1/t9-/m1/s1.
What are the key properties of 2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium?
2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium has a molecular weight of 191.25 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-methyl-2-oxo-3H-indol-3-yl]ethylazanium is sourced from PubChem (CID 6954862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).