5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride

C10H16ClN5O — CID 56953810

IUPAC5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride
SMILESCN(C)CCNC(=O)c1cc([N+]#N)cn1C.[Cl-]
InChIInChI=1S/C10H15N5O.ClH/c1-14(2)5-4-12-10(16)9-6-8(13-11)7-15(9)3;/h6-7H,4-5H2,1-3H3;1H
InChIKeyXKHUBDPDRQXQGL-UHFFFAOYSA-N
MW257.72 g/mol
LogP-2.19
Rot. Bonds4

About 5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride

5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride (PubChem CID 56953810) has the molecular formula C10H16ClN5O and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride.

Molecular Properties

Compound Name5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride
PubChem CID56953810
Molecular FormulaC10H16ClN5O
Molecular Weight257.72 g/mol
Exact Mass257.10
IUPAC Name5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride
SMILESCN(C)CCNC(=O)c1cc([N+]#N)cn1C.[Cl-]
InChIInChI=1S/C10H15N5O.ClH/c1-14(2)5-4-12-10(16)9-6-8(13-11)7-15(9)3;/h6-7H,4-5H2,1-3H3;1H
InChIKeyXKHUBDPDRQXQGL-UHFFFAOYSA-N
XLogP-2.19
TPSA65.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 5-2.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-1-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]pyrrole-2-carboxamide
CID 62636568
N-(2-aminoethyl)-1,4-dimethylpyrrole-2-carboxamide
CID 140567735
N-[2-(dimethylamino)ethyl]-4-[[4-[(4-formamido-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylimidazole-2-carboxamide
CID 102047568
N-[5-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-1-methylpyrrol-3-yl]-1,4-dimethylpyrrole-2-carboxamide
CID 59057978
4-(3-aminopropanoylamino)-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 14106661
4-iodo-1-methyl-N-propylpyrrole-2-carboxamide
CID 168679993
4-bromo-N-[2-[ethyl(propyl)amino]ethyl]-1-methylpyrrole-2-carboxamide
CID 113247680
4-[[4-(aziridine-1-carbonylamino)-1-methylpyrrole-2-carbonyl]amino]-N-[3-(dimethylamino)propyl]-1-methylpyrrole-2-carboxamide;hydrochloride
CID 88651473
4-amino-N-(2-methoxyethyl)-1-methylpyrrole-2-carboxamide
CID 43641937
N-[3-(dimethylamino)propyl]-4-[[1-[2-[2-[[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]carbamoyl]-4-nitropyrrol-1-yl]ethyl]-4-nitropyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxamide
CID 16726955
4-benzamido-N-[5-[[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]carbamoyl]-1-methylpyrrol-3-yl]-1-methylimidazole-2-carboxamide
CID 57398250
4-(3-acetamidopropanoylamino)-N-[5-[3-(dimethylamino)propylcarbamoyl]-1-methylpyrrol-3-yl]-1-methylpyrrole-2-carboxamide
CID 20692572

Frequently Asked Questions

What is the IUPAC name of 5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride?
The IUPAC name of 5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride (CID 56953810) is 5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride.
What is the SMILES notation for 5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride?
The canonical SMILES for 5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride is CN(C)CCNC(=O)c1cc([N+]#N)cn1C.[Cl-].
What is the InChIKey of 5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride?
The InChIKey is XKHUBDPDRQXQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O.ClH/c1-14(2)5-4-12-10(16)9-6-8(13-11)7-15(9)3;/h6-7H,4-5H2,1-3H3;1H.
What are the key properties of 5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride?
5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride has a molecular weight of 257.72 g/mol, XLogP of -2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(dimethylamino)ethylcarbamoyl]-1-methylpyrrole-3-diazonium chloride is sourced from PubChem (CID 56953810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).