1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one

C9H14N2O — CID 131496462

IUPAC1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(N)cn1C
InChIInChI=1S/C9H14N2O/c1-6(2)9(12)8-4-7(10)5-11(8)3/h4-6H,10H2,1-3H3
InChIKeyYMOMYROIUXKMFR-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.45
Rot. Bonds2

About 1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one

1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one (PubChem CID 131496462) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one
PubChem CID131496462
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cc(N)cn1C
InChIInChI=1S/C9H14N2O/c1-6(2)9(12)8-4-7(10)5-11(8)3/h4-6H,10H2,1-3H3
InChIKeyYMOMYROIUXKMFR-UHFFFAOYSA-N
XLogP1.45
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

pentan-2-yl 4-amino-1-methylpyrrole-2-carboxylate
CID 102983089
2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65279686
(3-amino-2-methyl-3-oxopropyl) 4-amino-1-methylpyrrole-2-carboxylate
CID 61323059
4-amino-N-(2,2-dichloroethyl)-1-methylpyrrole-2-carboxamide
CID 130551753
tert-butyl 4-amino-1-methylpyrrole-2-carboxylate
CID 45089376
4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 82945823
4-amino-N-(1-cyclopropylethyl)-N,1-dimethylpyrrole-2-carboxamide
CID 43643844
(4-amino-1-methylpyrrol-2-yl)-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114542489
cyclopentyl 4-amino-1-methylpyrrole-2-carboxylate
CID 61309814
methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65364857
4-amino-N-(4-hydroxypentyl)-1-methylpyrrole-2-carboxamide
CID 106118881
1-[4-(4-amino-1-methylpyrrole-2-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 61110812

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one (CID 131496462) is 1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one is CC(C)C(=O)c1cc(N)cn1C.
What is the InChIKey of 1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one?
The InChIKey is YMOMYROIUXKMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)9(12)8-4-7(10)5-11(8)3/h4-6H,10H2,1-3H3.
What are the key properties of 1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one?
1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 131496462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).