N,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide

C10H15N3O3 — CID 163836923

IUPACN,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc([N+](=O)[O-])n1C
InChIInChI=1S/C10H15N3O3/c1-4-12(5-2)10(14)8-6-7-9(11(8)3)13(15)16/h6-7H,4-5H2,1-3H3
InChIKeyOINZMOYXDCMMDB-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.42
Rot. Bonds4

About N,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide

N,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide (PubChem CID 163836923) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is N,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide
PubChem CID163836923
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC NameN,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide
SMILESCCN(CC)C(=O)c1ccc([N+](=O)[O-])n1C
InChIInChI=1S/C10H15N3O3/c1-4-12(5-2)10(14)8-6-7-9(11(8)3)13(15)16/h6-7H,4-5H2,1-3H3
InChIKeyOINZMOYXDCMMDB-UHFFFAOYSA-N
XLogP1.42
TPSA68.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.42
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'}

Analyze N,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide?
The IUPAC name of N,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide (CID 163836923) is N,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide.
What is the SMILES notation for N,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide?
The canonical SMILES for N,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide is CCN(CC)C(=O)c1ccc([N+](=O)[O-])n1C.
What is the InChIKey of N,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide?
The InChIKey is OINZMOYXDCMMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-4-12(5-2)10(14)8-6-7-9(11(8)3)13(15)16/h6-7H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide?
N,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide has a molecular weight of 225.25 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-methyl-5-nitropyrrole-2-carboxamide is sourced from PubChem (CID 163836923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).