N-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide

C16H14N2O — CID 100991676

IUPACN-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide
SMILESO=C(Nc1ccccc1-n1cccc1)C1C=CC=C1
InChIInChI=1S/C16H14N2O/c19-16(13-7-1-2-8-13)17-14-9-3-4-10-15(14)18-11-5-6-12-18/h1-13H,(H,17,19)
InChIKeyNOSJKNNYJDAQHA-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.16
Rot. Bonds3

About N-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide

N-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide (PubChem CID 100991676) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is N-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide
PubChem CID100991676
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC NameN-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide
SMILESO=C(Nc1ccccc1-n1cccc1)C1C=CC=C1
InChIInChI=1S/C16H14N2O/c19-16(13-7-1-2-8-13)17-14-9-3-4-10-15(14)18-11-5-6-12-18/h1-13H,(H,17,19)
InChIKeyNOSJKNNYJDAQHA-UHFFFAOYSA-N
XLogP3.16
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-pyrrol-1-ylphenyl)propanamide
CID 4048340
1-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
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N-(2-imidazol-1-ylphenyl)cyclobutanecarboxamide
CID 12911535
3,4,5-trimethoxy-N-(2-pyrrol-1-ylphenyl)benzamide
CID 4689852
2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide
CID 645953
2-(furan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
CID 6602692
(2R)-2-methyl-1-(5-phenylpentanoyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidin-1-ium-1-carboxamide
CID 69061791
(2S)-1-(3-phenyl-1,2-oxazole-5-carbonyl)-N-(2-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 57457627
(2S)-4-methoxyimino-1-N-pentyl-2-N-(2-pyrrol-1-ylphenyl)pyrrolidine-1,2-dicarboxamide
CID 131725423
trans-(1R,2R)-N-[2-(azepan-1-yl)phenyl]-2-methylcyclopropane-1-carboxamide
CID 51931889
N-(2-imidazol-1-ylphenyl)-5-oxopyrrolidine-2-carboxamide
CID 110471752
N'-[(1R,2R)-2-methylcyclopropanecarbonyl]-2-pyrrol-1-ylbenzohydrazide
CID 27673727

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide?
The IUPAC name of N-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide (CID 100991676) is N-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide.
What is the SMILES notation for N-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide?
The canonical SMILES for N-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide is O=C(Nc1ccccc1-n1cccc1)C1C=CC=C1.
What is the InChIKey of N-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide?
The InChIKey is NOSJKNNYJDAQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-16(13-7-1-2-8-13)17-14-9-3-4-10-15(14)18-11-5-6-12-18/h1-13H,(H,17,19).
What are the key properties of N-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide?
N-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrol-1-ylphenyl)cyclopenta-2,4-diene-1-carboxamide is sourced from PubChem (CID 100991676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).