(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide

C17H25N3O2 — CID 9163414

IUPAC(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide
SMILESCCCNC(=O)CNC(=O)/C=C/c1cc(C)n(C2CC2)c1C
InChIInChI=1S/C17H25N3O2/c1-4-9-18-17(22)11-19-16(21)8-5-14-10-12(2)20(13(14)3)15-6-7-15/h5,8,10,15H,4,6-7,9,11H2,1-3H3,(H,18,22)(H,19,21)/b8-5+
InChIKeyFLLMBIQUSHXUIL-VMPITWQZSA-N
MW303.41 g/mol
LogP2.10
Rot. Bonds7

About (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide

(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide (PubChem CID 9163414) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide
PubChem CID9163414
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide
SMILESCCCNC(=O)CNC(=O)/C=C/c1cc(C)n(C2CC2)c1C
InChIInChI=1S/C17H25N3O2/c1-4-9-18-17(22)11-19-16(21)8-5-14-10-12(2)20(13(14)3)15-6-7-15/h5,8,10,15H,4,6-7,9,11H2,1-3H3,(H,18,22)(H,19,21)/b8-5+
InChIKeyFLLMBIQUSHXUIL-VMPITWQZSA-N
XLogP2.10
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(5-formyl-1-methyl-1H-pyrrol-2-yl)formamido]-3-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]butanamide
CID 25093410
N-(2-(3-Formyl-2,5-dimethyl-1H-pyrrol-1-yl)ethyl)acetamide
CID 178134
2-Cyano-N-cyclopropyl-3-(2,5-dimethyl-1H-pyrrol-3-yl)-acrylamide
CID 787843
2-Cyano-N-cycloheptyl-3-(1,2,5-trimethyl-1H-pyrrol-3-yl)-acrylamide
CID 817558
(5E)-5-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylidene]-3-phenylimidazolidine-2,4-dione
CID 848114
5-[(1-cyclopropyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-1,3-dimethyl-2-thioxo-4-imidazolidinone
CID 900431
3-benzyl-5-[(1-ethyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2,4-imidazolidinedione
CID 1782803
2-{2,4-dioxo-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylene]-1,3-thiazolidin-3-yl}-N-(4-methylphenyl)acetamide
CID 1796714
2-{2,4-dioxo-5-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylene]-1,3-thiazolidin-3-yl}-N-(3-methylphenyl)acetamide
CID 2252839
N-benzyl-2-cyano-3-(5-cyano-1,2-dimethyl-1H-pyrrol-3-yl)prop-2-enamide
CID 2437267
3-(2-fluorobenzyl)-5-[(1-isopropyl-2,5-dimethyl-1H-pyrrol-3-yl)methylene]-2,4-imidazolidinedione
CID 5431360
(E)-2-cyano-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 5766786

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide (CID 9163414) is (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide is CCCNC(=O)CNC(=O)/C=C/c1cc(C)n(C2CC2)c1C.
What is the InChIKey of (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide?
The InChIKey is FLLMBIQUSHXUIL-VMPITWQZSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-4-9-18-17(22)11-19-16(21)8-5-14-10-12(2)20(13(14)3)15-6-7-15/h5,8,10,15H,4,6-7,9,11H2,1-3H3,(H,18,22)(H,19,21)/b8-5+.
What are the key properties of (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide?
(E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide has a molecular weight of 303.41 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-N-[2-oxo-2-(propylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 9163414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).