N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide

C10H15N3O4 — CID 43394110

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide
SMILESCn1c(C(=O)NC(C)(C)CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O4/c1-10(2,6-14)11-9(15)7-4-5-8(12(7)3)13(16)17/h4-5,14H,6H2,1-3H3,(H,11,15)
InChIKeyUCJOCCCXDHIGLQ-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.43
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide

N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide (PubChem CID 43394110) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide
PubChem CID43394110
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide
SMILESCn1c(C(=O)NC(C)(C)CO)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H15N3O4/c1-10(2,6-14)11-9(15)7-4-5-8(12(7)3)13(16)17/h4-5,14H,6H2,1-3H3,(H,11,15)
InChIKeyUCJOCCCXDHIGLQ-UHFFFAOYSA-N
XLogP0.43
TPSA97.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-hydroxy-4-methoxy-2-methylbutyl)-1-methyl-5-nitropyrrole-2-carboxamide
CID 103712515
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-methyl-5-nitropyrrole-2-carboxamide
CID 114751180
N-(4-chloropentan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide
CID 113376718
N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
CID 12948787
2-methyl-4-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]butanoic acid
CID 80538250
2-hydroxy-4-[(1-methyl-5-nitropyrrole-2-carbonyl)amino]butanoic acid
CID 114006341
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-nitrobenzamide
CID 110000875
N-(4-bromo-1-methoxybutan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide
CID 114151305
N-(1-hydroxy-2-methylpropan-2-yl)-2,5-dimethylpyrazole-3-carboxamide
CID 66126916
N-(5-bromo-6-methyl-2-pyridinyl)-1-methyl-5-nitropyrrole-2-carboxamide
CID 79048284
N-[3-(hydroxymethyl)pentan-3-yl]-1,5-dimethylpyrrole-2-carboxamide
CID 62518656
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
CID 43500997

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide (CID 43394110) is N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide is Cn1c(C(=O)NC(C)(C)CO)ccc1[N+](=O)[O-].
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide?
The InChIKey is UCJOCCCXDHIGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-10(2,6-14)11-9(15)7-4-5-8(12(7)3)13(16)17/h4-5,14H,6H2,1-3H3,(H,11,15).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide?
N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-1-methyl-5-nitropyrrole-2-carboxamide is sourced from PubChem (CID 43394110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).