2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide

C12H13N3O — CID 168523549

IUPAC2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
SMILESCN1CCc2cc(NC(=O)CC#N)ccc21
InChIInChI=1S/C12H13N3O/c1-15-7-5-9-8-10(2-3-11(9)15)14-12(16)4-6-13/h2-3,8H,4-5,7H2,1H3,(H,14,16)
InChIKeyDVNROZMBGFNHEC-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.53
Rot. Bonds2

About 2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide

2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide (PubChem CID 168523549) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
PubChem CID168523549
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
SMILESCN1CCc2cc(NC(=O)CC#N)ccc21
InChIInChI=1S/C12H13N3O/c1-15-7-5-9-8-10(2-3-11(9)15)14-12(16)4-6-13/h2-3,8H,4-5,7H2,1H3,(H,14,16)
InChIKeyDVNROZMBGFNHEC-UHFFFAOYSA-N
XLogP1.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(1-methyl-2,3-dihydroindol-5-yl)amino]-2-oxoethyl]benzamide
CID 110744715
2-cyano-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 168524286
2-ethyl-N-(1-methyl-2,3-dihydroindol-5-yl)butanamide
CID 110729318
2-(2-methoxyphenyl)-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide
CID 110729357
2-cyano-N-[4-[(2-cyanoacetyl)amino]phenyl]acetamide
CID 5143928
N-(1-ethyl-2,3-dihydroindol-6-yl)-1-methyl-2,3-dihydroindole-5-carboxamide
CID 154840394
1-[4-[(1-methyl-2,3-dihydroindol-5-yl)amino]phenyl]ethanone
CID 82536649
2-cyano-N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(trifluoromethyl)phenyl]acetamide
CID 168520250
2-cyano-N-(3,4-dimethylphenyl)acetamide
CID 2345033
ethane;1-(1-methyl-2,3-dihydroindol-5-yl)ethanone
CID 91428758
3,3-dimethyl-N-(1-methyl-2,3-dihydroindol-6-yl)butanamide
CID 110729245
(2R)-2-amino-4-methyl-N-(1-methyl-2,3-dihydroindol-5-yl)pentanamide
CID 110837782

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide?
The IUPAC name of 2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide (CID 168523549) is 2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide?
The canonical SMILES for 2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide is CN1CCc2cc(NC(=O)CC#N)ccc21.
What is the InChIKey of 2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide?
The InChIKey is DVNROZMBGFNHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-15-7-5-9-8-10(2-3-11(9)15)14-12(16)4-6-13/h2-3,8H,4-5,7H2,1H3,(H,14,16).
What are the key properties of 2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide?
2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide has a molecular weight of 215.26 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-methyl-2,3-dihydroindol-5-yl)acetamide is sourced from PubChem (CID 168523549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).