N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide

C9H11IN2O — CID 168679995

IUPACN-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide
SMILESCn1cc(I)cc1C(=O)NC1CC1
InChIInChI=1S/C9H11IN2O/c1-12-5-6(10)4-8(12)9(13)11-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,11,13)
InChIKeyPWHABURBIKCQIY-UHFFFAOYSA-N
MW290.10 g/mol
LogP1.52
Rot. Bonds2

About N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide

N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide (PubChem CID 168679995) has the molecular formula C9H11IN2O and a molecular weight of 290.10 g/mol. Its IUPAC name is N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide
PubChem CID168679995
Molecular FormulaC9H11IN2O
Molecular Weight290.10 g/mol
Exact Mass289.99
IUPAC NameN-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide
SMILESCn1cc(I)cc1C(=O)NC1CC1
InChIInChI=1S/C9H11IN2O/c1-12-5-6(10)4-8(12)9(13)11-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,11,13)
InChIKeyPWHABURBIKCQIY-UHFFFAOYSA-N
XLogP1.52
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.10
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-methyl-N-(4-methylcyclohexyl)pyrrole-2-carboxamide
CID 43642107
N-(4-aminocyclohexyl)-4-chloro-1-methylpyrrole-2-carboxamide
CID 79113868
4-amino-1-methyl-N-(1-methylpiperidin-4-yl)pyrrole-2-carboxamide
CID 43643546
4-iodo-1-methyl-N-propylpyrrole-2-carboxamide
CID 168679993
4-iodo-1-methyl-N-propan-2-ylpyrrole-2-carboxamide
CID 168679994
4-bromo-N-(4-ethylcyclohexyl)-1-methylpyrrole-2-carboxamide
CID 61244506
N-(4-ethylcyclohexyl)-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 60739481
4-amino-1-methyl-N-(1-methylpyrrolidin-3-yl)pyrrole-2-carboxamide
CID 61461789
ethyl 4-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]cyclohexane-1-carboxylate
CID 60932820
4-amino-1-methyl-N-(1-methylsulfonylpiperidin-4-yl)pyrrole-2-carboxamide
CID 43644159
4-acetyl-1-methyl-N-piperidin-4-ylpyrrole-2-carboxamide
CID 119387080
N-cyclopentyl-1-methyl-4-(methylsulfamoyl)pyrrole-2-carboxamide
CID 34366355

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide (CID 168679995) is N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide is Cn1cc(I)cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide?
The InChIKey is PWHABURBIKCQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O/c1-12-5-6(10)4-8(12)9(13)11-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,11,13).
What are the key properties of N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide?
N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide has a molecular weight of 290.10 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-iodo-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 168679995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).