(E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one

C19H18N2O — CID 42648038

IUPAC(E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one
SMILESCC(=O)/C=C(\C)Nc1cccc2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C19H18N2O/c1-13(11-14(2)22)20-17-9-6-10-18-16(17)12-19(21-18)15-7-4-3-5-8-15/h3-12,20-21H,1-2H3/b13-11+
InChIKeyLTVYGZNXXTUWQT-ACCUITESSA-N
MW290.37 g/mol
LogP4.74
Rot. Bonds4

About (E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one

(E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one (PubChem CID 42648038) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is (E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one.

Molecular Properties

Compound Name(E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one
PubChem CID42648038
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name(E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one
SMILESCC(=O)/C=C(\C)Nc1cccc2[nH]c(-c3ccccc3)cc12
InChIInChI=1S/C19H18N2O/c1-13(11-14(2)22)20-17-9-6-10-18-16(17)12-19(21-18)15-7-4-3-5-8-15/h3-12,20-21H,1-2H3/b13-11+
InChIKeyLTVYGZNXXTUWQT-ACCUITESSA-N
XLogP4.74
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one
CID 71834899
3-oxo-N-(2-phenyl-1H-indol-4-yl)butanamide
CID 91692015
(E)-4-[(1-methyl-2-phenylindol-4-yl)amino]pent-3-en-2-one
CID 42648039
1-(5-amino-2-phenyl-1H-indol-4-yl)ethanone
CID 23402126
4-bromo-2-phenyl-1H-indole
CID 15151163
(Z)-4-(2-methoxyanilino)pent-3-en-2-one
CID 102222000
(Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one
CID 11820554
4-nitro-2-phenyl-1H-indole
CID 14960157
2-(3-phenylphenyl)-1H-indole-4-carboxamide
CID 22014873
(Z)-3-(4-chloroanilino)-1-(2-phenyl-1H-indol-3-yl)but-2-en-1-one
CID 6446543
4-(chloromethyl)-2-phenyl-1H-indole
CID 151772767
(E)-4-(3-benzoylanilino)pent-3-en-2-one
CID 5394267

Frequently Asked Questions

What is the IUPAC name of (E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one?
The IUPAC name of (E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one (CID 42648038) is (E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one.
What is the SMILES notation for (E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one?
The canonical SMILES for (E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one is CC(=O)/C=C(\C)Nc1cccc2[nH]c(-c3ccccc3)cc12.
What is the InChIKey of (E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one?
The InChIKey is LTVYGZNXXTUWQT-ACCUITESSA-N. The full InChI is InChI=1S/C19H18N2O/c1-13(11-14(2)22)20-17-9-6-10-18-16(17)12-19(21-18)15-7-4-3-5-8-15/h3-12,20-21H,1-2H3/b13-11+.
What are the key properties of (E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one?
(E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one has a molecular weight of 290.37 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one is sourced from PubChem (CID 42648038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).