N-naphthalen-1-yl-1H-pyrrole-2-carboxamide

C15H12N2O — CID 110461074

IUPACN-naphthalen-1-yl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc[nH]1
InChIInChI=1S/C15H12N2O/c18-15(14-9-4-10-16-14)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-10,16H,(H,17,18)
InChIKeyJEGVVAOPVHOGBY-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.42
Rot. Bonds2

About N-naphthalen-1-yl-1H-pyrrole-2-carboxamide

N-naphthalen-1-yl-1H-pyrrole-2-carboxamide (PubChem CID 110461074) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is N-naphthalen-1-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-1H-pyrrole-2-carboxamide
PubChem CID110461074
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC NameN-naphthalen-1-yl-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1ccc[nH]1
InChIInChI=1S/C15H12N2O/c18-15(14-9-4-10-16-14)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-10,16H,(H,17,18)
InChIKeyJEGVVAOPVHOGBY-UHFFFAOYSA-N
XLogP3.42
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of N-naphthalen-1-yl-1H-pyrrole-2-carboxamide (CID 110461074) is N-naphthalen-1-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-1H-pyrrole-2-carboxamide is O=C(Nc1cccc2ccccc12)c1ccc[nH]1.
What is the InChIKey of N-naphthalen-1-yl-1H-pyrrole-2-carboxamide?
The InChIKey is JEGVVAOPVHOGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c18-15(14-9-4-10-16-14)17-13-8-3-6-11-5-1-2-7-12(11)13/h1-10,16H,(H,17,18).
What are the key properties of N-naphthalen-1-yl-1H-pyrrole-2-carboxamide?
N-naphthalen-1-yl-1H-pyrrole-2-carboxamide has a molecular weight of 236.27 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110461074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).