N-(3-cyano-1-ethyl-6-nitro-2,3-dihydroindol-2-yl)acetamide

C13H14N4O3 — CID 70805342

IUPACN-(3-cyano-1-ethyl-6-nitro-2,3-dihydroindol-2-yl)acetamide
SMILESCCN1c2cc([N+](=O)[O-])ccc2C(C#N)C1NC(C)=O
InChIInChI=1S/C13H14N4O3/c1-3-16-12-6-9(17(19)20)4-5-10(12)11(7-14)13(16)15-8(2)18/h4-6,11,13H,3H2,1-2H3,(H,15,18)
InChIKeyPQTXYEQMTLSJON-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.50
Rot. Bonds3

About N-(3-cyano-1-ethyl-6-nitro-2,3-dihydroindol-2-yl)acetamide

N-(3-cyano-1-ethyl-6-nitro-2,3-dihydroindol-2-yl)acetamide (PubChem CID 70805342) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(3-cyano-1-ethyl-6-nitro-2,3-dihydroindol-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-cyano-1-ethyl-6-nitro-2,3-dihydroindol-2-yl)acetamide
PubChem CID70805342
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC NameN-(3-cyano-1-ethyl-6-nitro-2,3-dihydroindol-2-yl)acetamide
SMILESCCN1c2cc([N+](=O)[O-])ccc2C(C#N)C1NC(C)=O
InChIInChI=1S/C13H14N4O3/c1-3-16-12-6-9(17(19)20)4-5-10(12)11(7-14)13(16)15-8(2)18/h4-6,11,13H,3H2,1-2H3,(H,15,18)
InChIKeyPQTXYEQMTLSJON-UHFFFAOYSA-N
XLogP1.50
TPSA99.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethyl-5,5-dimethyl-8-nitro-2-oxo-3,4-dihydro-1-benzazepin-3-yl)acetamide
CID 67263742
1,2-diethyl-6-nitro-2H-indol-3-one
CID 174530305
1-[(2R,3S)-4-acetyl-2,3-dimethyl-6-nitro-2,3-dihydroquinoxalin-1-yl]ethanone
CID 7352928
1-ethyl-3,3-dimethyl-6-nitroindol-2-one
CID 69071675
(2S)-1-ethyl-2-methyl-6-nitro-2,4-dihydroquinoline-3,3-dicarboxylic acid
CID 7598489
(2R)-1-ethyl-2-methyl-6-nitro-2,4-dihydroquinoline-3,3-dicarboxylic acid
CID 7598483
N-[2-[2-(dimethylamino)ethoxy]-5-nitrophenyl]acetamide
CID 166477963
1-[2-(ethylamino)-4-nitrophenyl]propan-1-one
CID 174545014
N-(1-ethyl-5,5-dimethyl-8-nitro-2-oxo-3,4-dihydro-1-benzazepin-3-yl)-2,2,2-trifluoroacetamide
CID 86634059
ethane;N-(3-nitrophenyl)acetamide
CID 90876834
1-(3-nitroanilino)propan-2-one
CID 141021170
2-[(1-acetylpiperidin-4-yl)amino]-5-nitrobenzonitrile
CID 39967639

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-1-ethyl-6-nitro-2,3-dihydroindol-2-yl)acetamide?
The IUPAC name of N-(3-cyano-1-ethyl-6-nitro-2,3-dihydroindol-2-yl)acetamide (CID 70805342) is N-(3-cyano-1-ethyl-6-nitro-2,3-dihydroindol-2-yl)acetamide.
What is the SMILES notation for N-(3-cyano-1-ethyl-6-nitro-2,3-dihydroindol-2-yl)acetamide?
The canonical SMILES for N-(3-cyano-1-ethyl-6-nitro-2,3-dihydroindol-2-yl)acetamide is CCN1c2cc([N+](=O)[O-])ccc2C(C#N)C1NC(C)=O.
What is the InChIKey of N-(3-cyano-1-ethyl-6-nitro-2,3-dihydroindol-2-yl)acetamide?
The InChIKey is PQTXYEQMTLSJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-3-16-12-6-9(17(19)20)4-5-10(12)11(7-14)13(16)15-8(2)18/h4-6,11,13H,3H2,1-2H3,(H,15,18).
What are the key properties of N-(3-cyano-1-ethyl-6-nitro-2,3-dihydroindol-2-yl)acetamide?
N-(3-cyano-1-ethyl-6-nitro-2,3-dihydroindol-2-yl)acetamide has a molecular weight of 274.28 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-1-ethyl-6-nitro-2,3-dihydroindol-2-yl)acetamide is sourced from PubChem (CID 70805342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).