N,N,1-trimethyl-4-nitropyrrole-2-carboxamide

C8H11N3O3 — CID 129237232

IUPACN,N,1-trimethyl-4-nitropyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cc([N+](=O)[O-])cn1C
InChIInChI=1S/C8H11N3O3/c1-9(2)8(12)7-4-6(11(13)14)5-10(7)3/h4-5H,1-3H3
InChIKeyGFYJYERJTZHSBK-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.64
Rot. Bonds2

About N,N,1-trimethyl-4-nitropyrrole-2-carboxamide

N,N,1-trimethyl-4-nitropyrrole-2-carboxamide (PubChem CID 129237232) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is N,N,1-trimethyl-4-nitropyrrole-2-carboxamide.

Molecular Properties

Compound NameN,N,1-trimethyl-4-nitropyrrole-2-carboxamide
PubChem CID129237232
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC NameN,N,1-trimethyl-4-nitropyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cc([N+](=O)[O-])cn1C
InChIInChI=1S/C8H11N3O3/c1-9(2)8(12)7-4-6(11(13)14)5-10(7)3/h4-5H,1-3H3
InChIKeyGFYJYERJTZHSBK-UHFFFAOYSA-N
XLogP0.64
TPSA68.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.64
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of N,N,1-trimethyl-4-nitropyrrole-2-carboxamide?
The IUPAC name of N,N,1-trimethyl-4-nitropyrrole-2-carboxamide (CID 129237232) is N,N,1-trimethyl-4-nitropyrrole-2-carboxamide.
What is the SMILES notation for N,N,1-trimethyl-4-nitropyrrole-2-carboxamide?
The canonical SMILES for N,N,1-trimethyl-4-nitropyrrole-2-carboxamide is CN(C)C(=O)c1cc([N+](=O)[O-])cn1C.
What is the InChIKey of N,N,1-trimethyl-4-nitropyrrole-2-carboxamide?
The InChIKey is GFYJYERJTZHSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-9(2)8(12)7-4-6(11(13)14)5-10(7)3/h4-5H,1-3H3.
What are the key properties of N,N,1-trimethyl-4-nitropyrrole-2-carboxamide?
N,N,1-trimethyl-4-nitropyrrole-2-carboxamide has a molecular weight of 197.19 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,1-trimethyl-4-nitropyrrole-2-carboxamide is sourced from PubChem (CID 129237232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).