(4-amino-1-methylpyrrol-2-yl) acetate

C7H10N2O2 — CID 174595112

IUPAC(4-amino-1-methylpyrrol-2-yl) acetate
SMILESCC(=O)Oc1cc(N)cn1C
InChIInChI=1S/C7H10N2O2/c1-5(10)11-7-3-6(8)4-9(7)2/h3-4H,8H2,1-2H3
InChIKeyVDKWGHCPWKOHAF-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.53
Rot. Bonds1

About (4-amino-1-methylpyrrol-2-yl) acetate

(4-amino-1-methylpyrrol-2-yl) acetate (PubChem CID 174595112) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (4-amino-1-methylpyrrol-2-yl) acetate.

Molecular Properties

Compound Name(4-amino-1-methylpyrrol-2-yl) acetate
PubChem CID174595112
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(4-amino-1-methylpyrrol-2-yl) acetate
SMILESCC(=O)Oc1cc(N)cn1C
InChIInChI=1S/C7H10N2O2/c1-5(10)11-7-3-6(8)4-9(7)2/h3-4H,8H2,1-2H3
InChIKeyVDKWGHCPWKOHAF-UHFFFAOYSA-N
XLogP0.53
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-1-methylpyrrol-3-amine
CID 69339573
(3-amino-1-methylpyrazol-5-yl) acetate
CID 174641992
tert-butyl 4-amino-1-methylpyrrole-2-carboxylate
CID 45089376
1-(4-amino-1-methylpyrrol-2-yl)-2-methylpropan-1-one
CID 131496462
methoxymethyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65364857
(4-amino-1-methylpyrrol-2-yl)methanol
CID 12532409
2-hydroxypropyl 4-amino-1-methylpyrrole-2-carboxylate
CID 65279686
5-amino-1,3-dimethylpyridin-2-one
CID 67456616
(4-acetyloxyfuran-3-yl) acetate
CID 159892676
benzene;(2,5-dimethylpyrazol-3-yl) acetate;ethane
CID 91380577
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
ethyl 5-acetyloxy-1-ethylpyrrole-3-carboxylate
CID 121224080

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylpyrrol-2-yl) acetate?
The IUPAC name of (4-amino-1-methylpyrrol-2-yl) acetate (CID 174595112) is (4-amino-1-methylpyrrol-2-yl) acetate.
What is the SMILES notation for (4-amino-1-methylpyrrol-2-yl) acetate?
The canonical SMILES for (4-amino-1-methylpyrrol-2-yl) acetate is CC(=O)Oc1cc(N)cn1C.
What is the InChIKey of (4-amino-1-methylpyrrol-2-yl) acetate?
The InChIKey is VDKWGHCPWKOHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-5(10)11-7-3-6(8)4-9(7)2/h3-4H,8H2,1-2H3.
What are the key properties of (4-amino-1-methylpyrrol-2-yl) acetate?
(4-amino-1-methylpyrrol-2-yl) acetate has a molecular weight of 154.17 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylpyrrol-2-yl) acetate is sourced from PubChem (CID 174595112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).