N-(3-tricyclo[4.3.0.07,9]nona-1(6),2,4-trienyl)pyrrole-1-carboxamide

C14H12N2O — CID 174373493

IUPACN-(3-tricyclo[4.3.0.07,9]nona-1(6),2,4-trienyl)pyrrole-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)C1CC21)n1cccc1
InChIInChI=1S/C14H12N2O/c17-14(16-5-1-2-6-16)15-9-3-4-10-11(7-9)13-8-12(10)13/h1-7,12-13H,8H2,(H,15,17)
InChIKeyAMYRYNUAFKRYGU-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.15
Rot. Bonds1

About N-(3-tricyclo[4.3.0.07,9]nona-1(6),2,4-trienyl)pyrrole-1-carboxamide

N-(3-tricyclo[4.3.0.07,9]nona-1(6),2,4-trienyl)pyrrole-1-carboxamide (PubChem CID 174373493) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is N-(3-tricyclo[4.3.0.07,9]nona-1(6),2,4-trienyl)pyrrole-1-carboxamide.

Molecular Properties

Compound NameN-(3-tricyclo[4.3.0.07,9]nona-1(6),2,4-trienyl)pyrrole-1-carboxamide
PubChem CID174373493
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC NameN-(3-tricyclo[4.3.0.07,9]nona-1(6),2,4-trienyl)pyrrole-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)C1CC21)n1cccc1
InChIInChI=1S/C14H12N2O/c17-14(16-5-1-2-6-16)15-9-3-4-10-11(7-9)13-8-12(10)13/h1-7,12-13H,8H2,(H,15,17)
InChIKeyAMYRYNUAFKRYGU-UHFFFAOYSA-N
XLogP3.15
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-N'-[(1-methyl-1H-pyrrol-2-yl)methyl]urea
CID 4079844
1-(3,4-Dimethylphenyl)-3-(pyridin-3-ylmethyl)urea
CID 4590879
1-(4-cyclopropylpyridin-3-yl)-3-(2,3-dihydro-1H-inden-5-yl)imidazolidin-2-one
CID 66576649
US11787802, Example 41
CID 169489617
N'-(3,4-dimethylphenyl)-N-isopropyl-N-[2-(4-pyridyl)ethyl]urea
CID 5214973
N-(3,4-Dimethylphenyl)-1-(propan-2-YL)-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazine-2-carboxamide
CID 20965168
N-(4-pyridin-2-ylphenyl)pyrrolidine-1-carboxamide
CID 136543483
N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 170447491
(5S)-N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-5-methyl-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 170617276
(4S)-N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 170617339
(1S,4R)-N-[3-(5-fluoro-3-pyridinyl)-4-methylphenyl]-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 170617390
(indan-5-ylamino)-N-(3-pyridyl)carboxamide
CID 17249763

Frequently Asked Questions

What is the IUPAC name of N-(3-tricyclo[4.3.0.07,9]nona-1(6),2,4-trienyl)pyrrole-1-carboxamide?
The IUPAC name of N-(3-tricyclo[4.3.0.07,9]nona-1(6),2,4-trienyl)pyrrole-1-carboxamide (CID 174373493) is N-(3-tricyclo[4.3.0.07,9]nona-1(6),2,4-trienyl)pyrrole-1-carboxamide.
What is the SMILES notation for N-(3-tricyclo[4.3.0.07,9]nona-1(6),2,4-trienyl)pyrrole-1-carboxamide?
The canonical SMILES for N-(3-tricyclo[4.3.0.07,9]nona-1(6),2,4-trienyl)pyrrole-1-carboxamide is O=C(Nc1ccc2c(c1)C1CC21)n1cccc1.
What is the InChIKey of N-(3-tricyclo[4.3.0.07,9]nona-1(6),2,4-trienyl)pyrrole-1-carboxamide?
The InChIKey is AMYRYNUAFKRYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14(16-5-1-2-6-16)15-9-3-4-10-11(7-9)13-8-12(10)13/h1-7,12-13H,8H2,(H,15,17).
What are the key properties of N-(3-tricyclo[4.3.0.07,9]nona-1(6),2,4-trienyl)pyrrole-1-carboxamide?
N-(3-tricyclo[4.3.0.07,9]nona-1(6),2,4-trienyl)pyrrole-1-carboxamide has a molecular weight of 224.26 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tricyclo[4.3.0.07,9]nona-1(6),2,4-trienyl)pyrrole-1-carboxamide is sourced from PubChem (CID 174373493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).