(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide

C15H22N2O — CID 47123773

IUPAC(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide
SMILESCc1cc(/C=C/C(N)=O)c(C)n1C1CCCCC1
InChIInChI=1S/C15H22N2O/c1-11-10-13(8-9-15(16)18)12(2)17(11)14-6-4-3-5-7-14/h8-10,14H,3-7H2,1-2H3,(H2,16,18)/b9-8+
InChIKeyPOGHOTWQMXDSEH-CMDGGOBGSA-N
MW246.35 g/mol
LogP3.11
Rot. Bonds3

About (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide

(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide (PubChem CID 47123773) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide
PubChem CID47123773
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide
SMILESCc1cc(/C=C/C(N)=O)c(C)n1C1CCCCC1
InChIInChI=1S/C15H22N2O/c1-11-10-13(8-9-15(16)18)12(2)17(11)14-6-4-3-5-7-14/h8-10,14H,3-7H2,1-2H3,(H2,16,18)/b9-8+
InChIKeyPOGHOTWQMXDSEH-CMDGGOBGSA-N
XLogP3.11
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1309706
N-benzyl-2-cyano-3-(5-cyano-1,2-dimethyl-1H-pyrrol-3-yl)prop-2-enamide
CID 2437267
(E)-2-cyano-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 5766786
CID 6381580
CID 6381580
(Z)-3-methyl-1-phenyl-4-((1,2,5-trimethyl-1H-pyrrol-3-yl)methylene)-1H-pyrazol-5(4H)-one
CID 875502
1-Butan-2-yl-2,5-dimethylpyrrole-3-carboxamide
CID 3928083
N-Benzyl-2-cyano-3-(2,5-dimethyl-1H-pyrrol-3-yl)-acrylamide
CID 5767303
1-cyclohexyl-N-[(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl]-2,5-dimethyl-1H-pyrrole-3-carboxamide
CID 17472947
2-(2,5-dimethyl-1H-pyrrol-1-yl)acetamide
CID 4850927
1-Pyrrolebutyramide, 2,5-dimethyl-N-isopropyl-
CID 3066542
1-Pyrrolebutyramide, N-tert-butyl-2,5-dimethyl-
CID 3066543

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide?
The IUPAC name of (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide (CID 47123773) is (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide.
What is the SMILES notation for (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide?
The canonical SMILES for (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide is Cc1cc(/C=C/C(N)=O)c(C)n1C1CCCCC1.
What is the InChIKey of (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide?
The InChIKey is POGHOTWQMXDSEH-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H22N2O/c1-11-10-13(8-9-15(16)18)12(2)17(11)14-6-4-3-5-7-14/h8-10,14H,3-7H2,1-2H3,(H2,16,18)/b9-8+.
What are the key properties of (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide?
(E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide has a molecular weight of 246.35 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enamide is sourced from PubChem (CID 47123773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).