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

C14H16N2O — CID 71834899

IUPAC4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one
SMILESCC(=O)C=C(C)Nc1cccc2[nH]c(C)cc12
InChIInChI=1S/C14H16N2O/c1-9(7-11(3)17)15-13-5-4-6-14-12(13)8-10(2)16-14/h4-8,15-16H,1-3H3
InChIKeyFNFXTSOQUDKLBD-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.38
Rot. Bonds3

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

4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one (PubChem CID 71834899) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one.

Molecular Properties

Compound Name4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one
PubChem CID71834899
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one
SMILESCC(=O)C=C(C)Nc1cccc2[nH]c(C)cc12
InChIInChI=1S/C14H16N2O/c1-9(7-11(3)17)15-13-5-4-6-14-12(13)8-10(2)16-14/h4-8,15-16H,1-3H3
InChIKeyFNFXTSOQUDKLBD-UHFFFAOYSA-N
XLogP3.38
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.38
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

(E)-4-[(2-phenyl-1H-indol-4-yl)amino]pent-3-en-2-one
CID 42648038
tert-butyl N-(2-methyl-1H-indol-4-yl)carbamate
CID 134485440
(E)-4-[(1-methyl-2-phenylindol-4-yl)amino]pent-3-en-2-one
CID 42648039
2-(acetamidomethyl)-N-(2-methyl-1H-indol-4-yl)pyridine-4-carboxamide
CID 112526496
5-bromo-N-(2-methyl-1H-indol-4-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112526466
N-(2-methyl-1H-indol-4-yl)-3-morpholin-4-ylpropanamide
CID 138457611
(Z)-4-(1H-indol-7-ylamino)pent-3-en-2-one
CID 11820554
4-[(7-methoxy-2,3-dimethyl-1H-indol-6-yl)amino]pent-3-en-2-one
CID 3506118
2-methyl-1H-indole-4-carboxamide;hydrochloride
CID 175902728
(Z)-4-(2-methoxyanilino)pent-3-en-2-one
CID 102222000
N-(2-fluoro-2-methylpropyl)-2-methyl-1H-indol-4-amine
CID 83822411
ethane;4-fluoro-2-methyl-1H-indole
CID 171088115

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one?
The IUPAC name of 4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one (CID 71834899) is 4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one.
What is the SMILES notation for 4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one?
The canonical SMILES for 4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one is CC(=O)C=C(C)Nc1cccc2[nH]c(C)cc12.
What is the InChIKey of 4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one?
The InChIKey is FNFXTSOQUDKLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-9(7-11(3)17)15-13-5-4-6-14-12(13)8-10(2)16-14/h4-8,15-16H,1-3H3.
What are the key properties of 4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one?
4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one has a molecular weight of 228.29 g/mol, XLogP of 3.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-1H-indol-4-yl)amino]pent-3-en-2-one is sourced from PubChem (CID 71834899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).