2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

C15H24N2O — CID 55002176

IUPAC2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CN(CC(C)C)C2CC2)c(C)[nH]1
InChIInChI=1S/C15H24N2O/c1-10(2)8-17(13-5-6-13)9-15(18)14-7-11(3)16-12(14)4/h7,10,13,16H,5-6,8-9H2,1-4H3
InChIKeyHRAUIVHEXWNMPD-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.93
Rot. Bonds6

About 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone

2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone (PubChem CID 55002176) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
PubChem CID55002176
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone
SMILESCc1cc(C(=O)CN(CC(C)C)C2CC2)c(C)[nH]1
InChIInChI=1S/C15H24N2O/c1-10(2)8-17(13-5-6-13)9-15(18)14-7-11(3)16-12(14)4/h7,10,13,16H,5-6,8-9H2,1-4H3
InChIKeyHRAUIVHEXWNMPD-UHFFFAOYSA-N
XLogP2.93
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dibromothiophen-3-yl)ethanone
CID 55002081
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-difluorophenyl)ethanone
CID 55001742
2-[cyclopropyl(2-methylpropyl)amino]-1-(4-methylphenyl)ethanone
CID 55001981
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(thiolan-3-yl)amino]ethanone
CID 62051579
1-(2,5-dimethyl-1H-pyrrol-3-yl)-3-methylbutan-1-one
CID 82490657
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(oxan-4-yl)amino]ethanone
CID 43797473
2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone
CID 55001836
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-propylamino]ethanone
CID 97339114
1-(3-bromophenyl)-2-[cyclopropyl(2-methylpropyl)amino]ethanone
CID 55001694
2-[[2-(2,5-dimethyl-1H-pyrrol-3-yl)-2-oxoethyl]-methylamino]-N,N-dimethylacetamide
CID 60713368
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]ethanone
CID 79318675
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112700724

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The IUPAC name of 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone (CID 55002176) is 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone is Cc1cc(C(=O)CN(CC(C)C)C2CC2)c(C)[nH]1.
What is the InChIKey of 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
The InChIKey is HRAUIVHEXWNMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-10(2)8-17(13-5-6-13)9-15(18)14-7-11(3)16-12(14)4/h7,10,13,16H,5-6,8-9H2,1-4H3.
What are the key properties of 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone?
2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone has a molecular weight of 248.37 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2-methylpropyl)amino]-1-(2,5-dimethyl-1H-pyrrol-3-yl)ethanone is sourced from PubChem (CID 55002176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).