N-(2-hydroxyethyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide

C8H11N3O4 — CID 60961648

IUPACN-(2-hydroxyethyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide
SMILESCN(CCO)C(=O)c1ccc([N+](=O)[O-])[nH]1
InChIInChI=1S/C8H11N3O4/c1-10(4-5-12)8(13)6-2-3-7(9-6)11(14)15/h2-3,9,12H,4-5H2,1H3
InChIKeyMMMBBQCUQHYYDT-UHFFFAOYSA-N
MW213.19 g/mol
LogP-0.01
Rot. Bonds4

About N-(2-hydroxyethyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide

N-(2-hydroxyethyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide (PubChem CID 60961648) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide
PubChem CID60961648
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC NameN-(2-hydroxyethyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide
SMILESCN(CCO)C(=O)c1ccc([N+](=O)[O-])[nH]1
InChIInChI=1S/C8H11N3O4/c1-10(4-5-12)8(13)6-2-3-7(9-6)11(14)15/h2-3,9,12H,4-5H2,1H3
InChIKeyMMMBBQCUQHYYDT-UHFFFAOYSA-N
XLogP-0.01
TPSA99.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
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

N-(azetidin-3-yl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide
CID 66184997
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-nitro-1H-pyrrole-2-carboxamide
CID 54984126
N-(2-bromoethyl)-5-nitro-N-propan-2-yl-1H-pyrrole-2-carboxamide
CID 80665469
ethyl 2-[(5-nitro-1H-pyrrole-2-carbonyl)-propylamino]acetate
CID 61011966
N-(4-hydroxybutyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 106843499
N-(2-aminoethyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 60964878
N-(2-hydroxycyclohexyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide
CID 102634964
5-nitro-N-prop-2-ynyl-1H-pyrrole-2-carboxamide
CID 61068795
N-benzyl-N-(2-bromoethyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 80655631
N-[2-(ethylamino)ethyl]-5-nitro-1H-pyrrole-2-carboxamide
CID 62658586
N-[(2R)-1-aminopropan-2-yl]-5-nitro-1H-pyrrole-2-carboxamide
CID 104873145
N-(2-hydroxy-2-methylbutyl)-5-nitro-1H-pyrrole-2-carboxamide
CID 65114715

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide (CID 60961648) is N-(2-hydroxyethyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide is CN(CCO)C(=O)c1ccc([N+](=O)[O-])[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide?
The InChIKey is MMMBBQCUQHYYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-10(4-5-12)8(13)6-2-3-7(9-6)11(14)15/h2-3,9,12H,4-5H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide?
N-(2-hydroxyethyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide has a molecular weight of 213.19 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-methyl-5-nitro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60961648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).