2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide

C12H16N4O2 — CID 83213540

IUPAC2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide
SMILESCc1cc2c(cc1N)N(CC(=O)NC(N)=O)CC2
InChIInChI=1S/C12H16N4O2/c1-7-4-8-2-3-16(10(8)5-9(7)13)6-11(17)15-12(14)18/h4-5H,2-3,6,13H2,1H3,(H3,14,15,17,18)
InChIKeyXMQXTPLRRVNLAV-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.13
Rot. Bonds2

About 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide

2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide (PubChem CID 83213540) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide.

Molecular Properties

Compound Name2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide
PubChem CID83213540
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide
SMILESCc1cc2c(cc1N)N(CC(=O)NC(N)=O)CC2
InChIInChI=1S/C12H16N4O2/c1-7-4-8-2-3-16(10(8)5-9(7)13)6-11(17)15-12(14)18/h4-5H,2-3,6,13H2,1H3,(H3,14,15,17,18)
InChIKeyXMQXTPLRRVNLAV-UHFFFAOYSA-N
XLogP0.13
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide?
The IUPAC name of 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide (CID 83213540) is 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide.
What is the SMILES notation for 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide?
The canonical SMILES for 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide is Cc1cc2c(cc1N)N(CC(=O)NC(N)=O)CC2.
What is the InChIKey of 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide?
The InChIKey is XMQXTPLRRVNLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-7-4-8-2-3-16(10(8)5-9(7)13)6-11(17)15-12(14)18/h4-5H,2-3,6,13H2,1H3,(H3,14,15,17,18).
What are the key properties of 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide?
2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide has a molecular weight of 248.29 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-methyl-2,3-dihydroindol-1-yl)-N-carbamoylacetamide is sourced from PubChem (CID 83213540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).