2-(6-amino-1H-indol-3-yl)-N-methylacetamide

C11H13N3O — CID 155392040

IUPAC2-(6-amino-1H-indol-3-yl)-N-methylacetamide
SMILESCNC(=O)Cc1c[nH]c2cc(N)ccc12
InChIInChI=1S/C11H13N3O/c1-13-11(15)4-7-6-14-10-5-8(12)2-3-9(7)10/h2-3,5-6,14H,4,12H2,1H3,(H,13,15)
InChIKeyLQFKYYLRBLDMQJ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.04
Rot. Bonds2

About 2-(6-amino-1H-indol-3-yl)-N-methylacetamide

2-(6-amino-1H-indol-3-yl)-N-methylacetamide (PubChem CID 155392040) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-(6-amino-1H-indol-3-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-(6-amino-1H-indol-3-yl)-N-methylacetamide
PubChem CID155392040
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-(6-amino-1H-indol-3-yl)-N-methylacetamide
SMILESCNC(=O)Cc1c[nH]c2cc(N)ccc12
InChIInChI=1S/C11H13N3O/c1-13-11(15)4-7-6-14-10-5-8(12)2-3-9(7)10/h2-3,5-6,14H,4,12H2,1H3,(H,13,15)
InChIKeyLQFKYYLRBLDMQJ-UHFFFAOYSA-N
XLogP1.04
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-1H-indol-6-amine;N-methylformamide
CID 155742399
3-[(propan-2-ylamino)methyl]-1H-indol-6-amine
CID 117178576
2-acetamido-3-(6-amino-1H-indol-3-yl)propanoic acid
CID 166609016
N-methyl-2-[6-[[4-(trifluoromethyl)phenyl]carbamoylamino]-1H-indol-3-yl]acetamide
CID 155412401
2-(5-amino-1H-indol-3-yl)acetic acid
CID 24974925
6-amino-N-(3,3-dimethylbutyl)-1H-indole-3-carboxamide
CID 115597694
ethyl (2R)-2-[[2-(6-fluoro-1H-indol-3-yl)acetyl]amino]propanoate
CID 172548012
2-[(5-amino-1H-indol-3-yl)sulfonylamino]-N-methylacetamide
CID 64851480
1-(6-amino-1H-indol-3-yl)-2-phenylethanone
CID 57257325
2-(1H-indol-3-ylmethylamino)-N-methylacetamide
CID 60664269
ethyl 2-[(6-amino-1H-indole-3-carbonyl)amino]propanoate
CID 61498215
3-isocyano-1H-indol-6-amine
CID 167419875

Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-1H-indol-3-yl)-N-methylacetamide?
The IUPAC name of 2-(6-amino-1H-indol-3-yl)-N-methylacetamide (CID 155392040) is 2-(6-amino-1H-indol-3-yl)-N-methylacetamide.
What is the SMILES notation for 2-(6-amino-1H-indol-3-yl)-N-methylacetamide?
The canonical SMILES for 2-(6-amino-1H-indol-3-yl)-N-methylacetamide is CNC(=O)Cc1c[nH]c2cc(N)ccc12.
What is the InChIKey of 2-(6-amino-1H-indol-3-yl)-N-methylacetamide?
The InChIKey is LQFKYYLRBLDMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-13-11(15)4-7-6-14-10-5-8(12)2-3-9(7)10/h2-3,5-6,14H,4,12H2,1H3,(H,13,15).
What are the key properties of 2-(6-amino-1H-indol-3-yl)-N-methylacetamide?
2-(6-amino-1H-indol-3-yl)-N-methylacetamide has a molecular weight of 203.25 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-1H-indol-3-yl)-N-methylacetamide is sourced from PubChem (CID 155392040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).