2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide

C15H15N3O — CID 78608845

IUPAC2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide
SMILESCCc1cccc2c(C=C(C#N)C(=O)NC)c[nH]c12
InChIInChI=1S/C15H15N3O/c1-3-10-5-4-6-13-12(9-18-14(10)13)7-11(8-16)15(19)17-2/h4-7,9,18H,3H2,1-2H3,(H,17,19)
InChIKeyLTLXEEFHXANNTJ-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.38
Rot. Bonds3

About 2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide

2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide (PubChem CID 78608845) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide
PubChem CID78608845
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide
SMILESCCc1cccc2c(C=C(C#N)C(=O)NC)c[nH]c12
InChIInChI=1S/C15H15N3O/c1-3-10-5-4-6-13-12(9-18-14(10)13)7-11(8-16)15(19)17-2/h4-7,9,18H,3H2,1-2H3,(H,17,19)
InChIKeyLTLXEEFHXANNTJ-UHFFFAOYSA-N
XLogP2.38
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-2-cyano-3-(7-ethyl-1H-indol-3-yl)prop-2-enamide
CID 4811134
(E)-2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 7927636
(E)-3-(7-ethyl-1H-indol-3-yl)prop-2-enoic acid
CID 76847871
(E)-3-(7-ethyl-1H-indol-3-yl)-2-[1-(4-ethylphenyl)-2,5-dimethylpyrrole-3-carbonyl]prop-2-enenitrile
CID 167835780
2-cyano-3-(2-iodophenyl)-N-methylprop-2-enamide
CID 3906510
(2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide
CID 137021976
N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135785166
(Z)-2-cyano-3-(2-fluorophenyl)-N-methylprop-2-enamide
CID 19183427
(E)-2-cyano-N-[4-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]phenyl]-3-(1H-indol-3-yl)prop-2-enamide
CID 1181989
N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(7-ethyl-1H-indol-3-yl)methanimine
CID 2550408
2-[(Z)-2-cyano-3-(methylamino)-3-oxoprop-1-enyl]benzoic acid
CID 19183471
2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide
CID 959247

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide?
The IUPAC name of 2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide (CID 78608845) is 2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide?
The canonical SMILES for 2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide is CCc1cccc2c(C=C(C#N)C(=O)NC)c[nH]c12.
What is the InChIKey of 2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide?
The InChIKey is LTLXEEFHXANNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-3-10-5-4-6-13-12(9-18-14(10)13)7-11(8-16)15(19)17-2/h4-7,9,18H,3H2,1-2H3,(H,17,19).
What are the key properties of 2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide?
2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide has a molecular weight of 253.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(7-ethyl-1H-indol-3-yl)-N-methylprop-2-enamide is sourced from PubChem (CID 78608845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).