N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide

C12H20N2O2 — CID 107318560

IUPACN-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCCCCCO)n1C
InChIInChI=1S/C12H20N2O2/c1-10-6-7-11(14(10)2)12(16)13-8-4-3-5-9-15/h6-7,15H,3-5,8-9H2,1-2H3,(H,13,16)
InChIKeyZIZICMWFUVBHEQ-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.23
Rot. Bonds6

About N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide

N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 107318560) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide
PubChem CID107318560
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCCCCCO)n1C
InChIInChI=1S/C12H20N2O2/c1-10-6-7-11(14(10)2)12(16)13-8-4-3-5-9-15/h6-7,15H,3-5,8-9H2,1-2H3,(H,13,16)
InChIKeyZIZICMWFUVBHEQ-UHFFFAOYSA-N
XLogP1.23
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(1,5-dimethylpyrrole-2-carbonyl)amino]heptanoic acid
CID 28791167
4-[2-[(1,5-dimethylpyrrole-2-carbonyl)amino]ethyl]benzoic acid
CID 43665791
N-[2-(2-methoxyethylamino)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 82994248
N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 54903796
N-(4-hydroxy-2-methylbutyl)-1,5-dimethylpyrrole-2-carboxamide
CID 66107997
1,5-dimethylpyrrole-2-carbohydrazide;hydrochloride
CID 130653632
2-(6-hydroxyhexylcarbamoyl)-3,6-dimethylbenzoic acid
CID 107846487
2-fluoro-N-(6-hydroxyhexyl)-3-methylbenzamide
CID 113351832
N-[2-(2-methoxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 31115490
2-ethyl-N-(6-hydroxyhexyl)-5-methylpyrazole-3-carboxamide
CID 113351807
N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 116650019
5-fluoro-N-(6-hydroxyhexyl)-2-methylbenzamide
CID 103919616

Frequently Asked Questions

What is the IUPAC name of N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide (CID 107318560) is N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide is Cc1ccc(C(=O)NCCCCCO)n1C.
What is the InChIKey of N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is ZIZICMWFUVBHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-6-7-11(14(10)2)12(16)13-8-4-3-5-9-15/h6-7,15H,3-5,8-9H2,1-2H3,(H,13,16).
What are the key properties of N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide?
N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 107318560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).