2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide

C11H15N3O — CID 114456417

IUPAC2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCc2cccc(N)c21
InChIInChI=1S/C11H15N3O/c1-13-10(15)7-14-6-5-8-3-2-4-9(12)11(8)14/h2-4H,5-7,12H2,1H3,(H,13,15)
InChIKeyPTLRAQAFIHAGIW-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.38
Rot. Bonds2

About 2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide

2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide (PubChem CID 114456417) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide
PubChem CID114456417
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide
SMILESCNC(=O)CN1CCc2cccc(N)c21
InChIInChI=1S/C11H15N3O/c1-13-10(15)7-14-6-5-8-3-2-4-9(12)11(8)14/h2-4H,5-7,12H2,1H3,(H,13,15)
InChIKeyPTLRAQAFIHAGIW-UHFFFAOYSA-N
XLogP0.38
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-methylacetamide
CID 61358971
2-(7-amino-2,3-dihydroindol-1-yl)-N,N-dimethylacetamide
CID 114456689
2-(7-amino-2,3-dihydroindol-1-yl)-N-(propylcarbamoyl)acetamide
CID 114456658
2-(7-amino-2,3-dihydroindol-1-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 114456579
methyl 4-[[2-(7-amino-2,3-dihydroindol-1-yl)acetyl]amino]butanoate
CID 114456249
2-(7-amino-2,3-dihydroindol-1-yl)-N-ethyl-N-methylacetamide
CID 114456671
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-pentan-3-ylacetamide
CID 61489791
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butan-2-ylacetamide
CID 61357996
methyl 3-(7-amino-2,3-dihydroindol-1-yl)propanoate
CID 114456156
2-(7-amino-2,3-dihydroindol-1-yl)-N-cyclopropyl-N-ethylacetamide
CID 114456129
3-(7-amino-2,3-dihydroindol-1-yl)-N-propan-2-ylpropanamide
CID 114456373
2-(8-amino-3,4-dihydro-2H-quinolin-1-yl)-N-butylacetamide
CID 61485896

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide?
The IUPAC name of 2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide (CID 114456417) is 2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide.
What is the SMILES notation for 2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide?
The canonical SMILES for 2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide is CNC(=O)CN1CCc2cccc(N)c21.
What is the InChIKey of 2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide?
The InChIKey is PTLRAQAFIHAGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-13-10(15)7-14-6-5-8-3-2-4-9(12)11(8)14/h2-4H,5-7,12H2,1H3,(H,13,15).
What are the key properties of 2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide?
2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide has a molecular weight of 205.26 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-2,3-dihydroindol-1-yl)-N-methylacetamide is sourced from PubChem (CID 114456417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).