2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

C15H24N2O — CID 110653828

IUPAC2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CNC2CCCCC2)c(C)n1C
InChIInChI=1S/C15H24N2O/c1-11-9-14(12(2)17(11)3)15(18)10-16-13-7-5-4-6-8-13/h9,13,16H,4-8,10H2,1-3H3
InChIKeySDADNOIFPKHDFB-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.75
Rot. Bonds4

About 2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone

2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (PubChem CID 110653828) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
PubChem CID110653828
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CNC2CCCCC2)c(C)n1C
InChIInChI=1S/C15H24N2O/c1-11-9-14(12(2)17(11)3)15(18)10-16-13-7-5-4-6-8-13/h9,13,16H,4-8,10H2,1-3H3
InChIKeySDADNOIFPKHDFB-UHFFFAOYSA-N
XLogP2.75
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-4-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperazine-1-carboxamide
CID 110658659
N-cyclopentyl-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691228
2-(cycloheptylamino)-1-(2,5-dimethylphenyl)ethanone
CID 82121333
2-(propylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653820
1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]piperidine-2-carboxamide
CID 60677071
2-(4-aminopiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62030350
1-cyclopentyl-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]imidazolidine-2,4,5-trione
CID 2663294
2-[cyclopentyl(2-hydroxyethyl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62037838
2-(butylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 110653824
2-(3-methoxypiperidin-1-yl)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 113231238
2-(cyclopentylamino)-1-(3-methyltriazol-4-yl)ethanone
CID 114691892
2-[methyl(piperidin-4-yl)amino]-1-(1,2,5-trimethylpyrrol-3-yl)ethanone
CID 62029794

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The IUPAC name of 2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone (CID 110653828) is 2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone.
What is the SMILES notation for 2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The canonical SMILES for 2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is Cc1cc(C(=O)CNC2CCCCC2)c(C)n1C.
What is the InChIKey of 2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
The InChIKey is SDADNOIFPKHDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11-9-14(12(2)17(11)3)15(18)10-16-13-7-5-4-6-8-13/h9,13,16H,4-8,10H2,1-3H3.
What are the key properties of 2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone?
2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone has a molecular weight of 248.37 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-(1,2,5-trimethylpyrrol-3-yl)ethanone is sourced from PubChem (CID 110653828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).