N-(4-pyrrol-1-ylphenyl)cyclopropanecarboxamide

C14H14N2O — CID 2768250

IUPACN-(4-pyrrol-1-ylphenyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-n2cccc2)cc1)C1CC1
InChIInChI=1S/C14H14N2O/c17-14(11-3-4-11)15-12-5-7-13(8-6-12)16-9-1-2-10-16/h1-2,5-11H,3-4H2,(H,15,17)
InChIKeyIUTROBYDNUECPG-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.83
Rot. Bonds3

About N-(4-pyrrol-1-ylphenyl)cyclopropanecarboxamide

N-(4-pyrrol-1-ylphenyl)cyclopropanecarboxamide (PubChem CID 2768250) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is N-(4-pyrrol-1-ylphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(4-pyrrol-1-ylphenyl)cyclopropanecarboxamide
PubChem CID2768250
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC NameN-(4-pyrrol-1-ylphenyl)cyclopropanecarboxamide
SMILESO=C(Nc1ccc(-n2cccc2)cc1)C1CC1
InChIInChI=1S/C14H14N2O/c17-14(11-3-4-11)15-12-5-7-13(8-6-12)16-9-1-2-10-16/h1-2,5-11H,3-4H2,(H,15,17)
InChIKeyIUTROBYDNUECPG-UHFFFAOYSA-N
XLogP2.83
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrol-1-ylphenyl)cyclopropanecarboxamide?
The IUPAC name of N-(4-pyrrol-1-ylphenyl)cyclopropanecarboxamide (CID 2768250) is N-(4-pyrrol-1-ylphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-(4-pyrrol-1-ylphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-(4-pyrrol-1-ylphenyl)cyclopropanecarboxamide is O=C(Nc1ccc(-n2cccc2)cc1)C1CC1.
What is the InChIKey of N-(4-pyrrol-1-ylphenyl)cyclopropanecarboxamide?
The InChIKey is IUTROBYDNUECPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-14(11-3-4-11)15-12-5-7-13(8-6-12)16-9-1-2-10-16/h1-2,5-11H,3-4H2,(H,15,17).
What are the key properties of N-(4-pyrrol-1-ylphenyl)cyclopropanecarboxamide?
N-(4-pyrrol-1-ylphenyl)cyclopropanecarboxamide has a molecular weight of 226.28 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrol-1-ylphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 2768250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).