N-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide

C15H14N2O2 — CID 54922388

IUPACN-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(C#CCCO)cc1)c1ccc[nH]1
InChIInChI=1S/C15H14N2O2/c18-11-2-1-4-12-6-8-13(9-7-12)17-15(19)14-5-3-10-16-14/h3,5-10,16,18H,2,11H2,(H,17,19)
InChIKeyQMAXTMNHKIKPDD-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.00
Rot. Bonds3

About N-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide

N-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 54922388) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID54922388
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC NameN-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1ccc(C#CCCO)cc1)c1ccc[nH]1
InChIInChI=1S/C15H14N2O2/c18-11-2-1-4-12-6-8-13(9-7-12)17-15(19)14-5-3-10-16-14/h3,5-10,16,18H,2,11H2,(H,17,19)
InChIKeyQMAXTMNHKIKPDD-UHFFFAOYSA-N
XLogP2.00
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[4-(4-hydroxybut-1-ynyl)phenyl]benzamide
CID 60803521
N-[4-(4-hydroxybut-1-ynyl)phenyl]acetamide
CID 60804040
N-(4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 51210699
N-[3-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1H-pyrrole-2-carboxamide
CID 107577901
N-[4-(aminomethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 110480991
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylpropanamide
CID 54922436
N-[4-(4-hydroxybut-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60804396
N-[4-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 9400205
N-[4-(4-hydroxybut-1-ynyl)phenyl]-3,3-dimethylbutanamide
CID 60803690
N-[4-(4-hydroxybut-1-ynyl)phenyl]-2-methylsulfanylacetamide
CID 60804215
5-(4-hydroxybut-1-ynyl)-N-phenylpyridine-2-carboxamide
CID 62960751
[4-(5-hydroxypent-1-ynyl)phenyl]carbamic acid
CID 22678091

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide (CID 54922388) is N-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide is O=C(Nc1ccc(C#CCCO)cc1)c1ccc[nH]1.
What is the InChIKey of N-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is QMAXTMNHKIKPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-11-2-1-4-12-6-8-13(9-7-12)17-15(19)14-5-3-10-16-14/h3,5-10,16,18H,2,11H2,(H,17,19).
What are the key properties of N-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide?
N-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 2.00, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxybut-1-ynyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 54922388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).