2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide

C18H13N3O — CID 959247

IUPAC2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide
SMILESN#CC(=Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C18H13N3O/c19-11-13(18(22)21-15-6-2-1-3-7-15)10-14-12-20-17-9-5-4-8-16(14)17/h1-10,12,20H,(H,21,22)
InChIKeyKEGXKFQVLAYCKR-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.71
Rot. Bonds3

About 2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide

2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide (PubChem CID 959247) has the molecular formula C18H13N3O and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide
PubChem CID959247
Molecular FormulaC18H13N3O
Molecular Weight287.32 g/mol
Exact Mass287.11
IUPAC Name2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide
SMILESN#CC(=Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1
InChIInChI=1S/C18H13N3O/c19-11-13(18(22)21-15-6-2-1-3-7-15)10-14-12-20-17-9-5-4-8-16(14)17/h1-10,12,20H,(H,21,22)
InChIKeyKEGXKFQVLAYCKR-UHFFFAOYSA-N
XLogP3.71
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.71
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

(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
(Z)-N-(4-chlorophenyl)-2-cyano-3-(1H-indol-3-yl)prop-2-enamide
CID 760976
(E)-2-cyano-3-(1H-indol-3-yl)-N-(4-methoxyphenyl)prop-2-enamide
CID 876651
(Z)-2-cyano-3-(1H-indol-3-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 916320
ethyl 4-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]benzoate
CID 2368300
(E)-2-cyano-3-(1H-indol-3-yl)-N-(3-nitrophenyl)prop-2-enamide
CID 916319
(E)-2-cyano-N-phenyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 5427071
2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide
CID 842168
(Z)-2-cyano-N-cyclopentyl-3-(1H-indol-3-yl)prop-2-enamide
CID 23476689
2-cyano-3-naphthalen-1-yl-N-phenylprop-2-enamide
CID 685348
methyl 3-[[(E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino]thiophene-2-carboxylate
CID 51044911
(Z)-2-cyano-3-(1H-indol-3-yl)-N-(2-methyl-4-nitrophenyl)prop-2-enamide
CID 20834788

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide?
The IUPAC name of 2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide (CID 959247) is 2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide.
What is the SMILES notation for 2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide?
The canonical SMILES for 2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide is N#CC(=Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1.
What is the InChIKey of 2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide?
The InChIKey is KEGXKFQVLAYCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O/c19-11-13(18(22)21-15-6-2-1-3-7-15)10-14-12-20-17-9-5-4-8-16(14)17/h1-10,12,20H,(H,21,22).
What are the key properties of 2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide?
2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide has a molecular weight of 287.32 g/mol, XLogP of 3.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(1H-indol-3-yl)-N-phenylprop-2-enamide is sourced from PubChem (CID 959247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).