2-ethyl-1-methyl-5-nitropyrrol-3-amine

C7H11N3O2 — CID 142782215

IUPAC2-ethyl-1-methyl-5-nitropyrrol-3-amine
SMILESCCc1c(N)cc([N+](=O)[O-])n1C
InChIInChI=1S/C7H11N3O2/c1-3-6-5(8)4-7(9(6)2)10(11)12/h4H,3,8H2,1-2H3
InChIKeyZUCGURBLKWDHHA-UHFFFAOYSA-N
MW169.18 g/mol
LogP1.08
Rot. Bonds2

About 2-ethyl-1-methyl-5-nitropyrrol-3-amine

2-ethyl-1-methyl-5-nitropyrrol-3-amine (PubChem CID 142782215) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-ethyl-1-methyl-5-nitropyrrol-3-amine.

Molecular Properties

Compound Name2-ethyl-1-methyl-5-nitropyrrol-3-amine
PubChem CID142782215
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-ethyl-1-methyl-5-nitropyrrol-3-amine
SMILESCCc1c(N)cc([N+](=O)[O-])n1C
InChIInChI=1S/C7H11N3O2/c1-3-6-5(8)4-7(9(6)2)10(11)12/h4H,3,8H2,1-2H3
InChIKeyZUCGURBLKWDHHA-UHFFFAOYSA-N
XLogP1.08
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-1-methyl-4-nitropyrazole
CID 154882110
4-nitro-1-propylpyrazol-5-amine;1-propylpyrazole-4,5-diamine
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4-ethyl-2-N-methyl-5-nitrobenzene-1,2-diamine
CID 54117826
2-(2-ethylimidazol-1-yl)-5-nitroaniline
CID 55080396
4-amino-5-ethyl-2-(4-nitrophenyl)-1-propylpyrazol-3-one
CID 61272537
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CID 62720513
5-amino-1,3-dibutyl-6-nitrobenzimidazol-2-one
CID 59390300
5-(1-methyl-5-nitroimidazol-2-yl)-1,3,4-thiadiazol-2-amine
CID 29698
2,4,5-trimethyl-3-nitroaniline
CID 826113
5-ethyl-1-(2-methyl-5-nitrophenyl)triazol-4-amine
CID 79507650
5-ethyl-1-(5-methyl-2-nitrophenyl)triazol-4-amine
CID 112557906
bis(propan-1-amine);1,3,5-trinitrobenzene
CID 71444758

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-methyl-5-nitropyrrol-3-amine?
The IUPAC name of 2-ethyl-1-methyl-5-nitropyrrol-3-amine (CID 142782215) is 2-ethyl-1-methyl-5-nitropyrrol-3-amine.
What is the SMILES notation for 2-ethyl-1-methyl-5-nitropyrrol-3-amine?
The canonical SMILES for 2-ethyl-1-methyl-5-nitropyrrol-3-amine is CCc1c(N)cc([N+](=O)[O-])n1C.
What is the InChIKey of 2-ethyl-1-methyl-5-nitropyrrol-3-amine?
The InChIKey is ZUCGURBLKWDHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-3-6-5(8)4-7(9(6)2)10(11)12/h4H,3,8H2,1-2H3.
What are the key properties of 2-ethyl-1-methyl-5-nitropyrrol-3-amine?
2-ethyl-1-methyl-5-nitropyrrol-3-amine has a molecular weight of 169.18 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-methyl-5-nitropyrrol-3-amine is sourced from PubChem (CID 142782215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).