3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one

C15H21N3O2 — CID 43254791

IUPAC3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
SMILESCc1ccc2c(c1)C(N)C(=O)N2CCN1CCOCC1
InChIInChI=1S/C15H21N3O2/c1-11-2-3-13-12(10-11)14(16)15(19)18(13)5-4-17-6-8-20-9-7-17/h2-3,10,14H,4-9,16H2,1H3
InChIKeySYNHSCOIVUAWAH-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.67
Rot. Bonds3

About 3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one

3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one (PubChem CID 43254791) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one.

Molecular Properties

Compound Name3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
PubChem CID43254791
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one
SMILESCc1ccc2c(c1)C(N)C(=O)N2CCN1CCOCC1
InChIInChI=1S/C15H21N3O2/c1-11-2-3-13-12(10-11)14(16)15(19)18(13)5-4-17-6-8-20-9-7-17/h2-3,10,14H,4-9,16H2,1H3
InChIKeySYNHSCOIVUAWAH-UHFFFAOYSA-N
XLogP0.67
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one?
The IUPAC name of 3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one (CID 43254791) is 3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one.
What is the SMILES notation for 3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one?
The canonical SMILES for 3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one is Cc1ccc2c(c1)C(N)C(=O)N2CCN1CCOCC1.
What is the InChIKey of 3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one?
The InChIKey is SYNHSCOIVUAWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-2-3-13-12(10-11)14(16)15(19)18(13)5-4-17-6-8-20-9-7-17/h2-3,10,14H,4-9,16H2,1H3.
What are the key properties of 3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one?
3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one has a molecular weight of 275.35 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-methyl-1-(2-morpholin-4-ylethyl)-3H-indol-2-one is sourced from PubChem (CID 43254791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).