2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid

C15H12N2O2 — CID 82364972

IUPAC2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid
SMILESNc1[nH]c(-c2ccc3ccccc3c2)cc1C(=O)O
InChIInChI=1S/C15H12N2O2/c16-14-12(15(18)19)8-13(17-14)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,17H,16H2,(H,18,19)
InChIKeyNUBGUYOXFBANFN-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.12
Rot. Bonds2

About 2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid

2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid (PubChem CID 82364972) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid
PubChem CID82364972
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid
SMILESNc1[nH]c(-c2ccc3ccccc3c2)cc1C(=O)O
InChIInChI=1S/C15H12N2O2/c16-14-12(15(18)19)8-13(17-14)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,17H,16H2,(H,18,19)
InChIKeyNUBGUYOXFBANFN-UHFFFAOYSA-N
XLogP3.12
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid (CID 82364972) is 2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid is Nc1[nH]c(-c2ccc3ccccc3c2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid?
The InChIKey is NUBGUYOXFBANFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c16-14-12(15(18)19)8-13(17-14)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,17H,16H2,(H,18,19).
What are the key properties of 2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid?
2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 3.12, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-naphthalen-2-yl-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82364972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).