4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid

C15H11NO2 — CID 147324175

IUPAC4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc3ccccc23)c[nH]1
InChIInChI=1S/C15H11NO2/c17-15(18)14-8-11(9-16-14)13-7-3-5-10-4-1-2-6-12(10)13/h1-9,16H,(H,17,18)
InChIKeyDAJVEULWMOZRLC-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.53
Rot. Bonds2

About 4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid

4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid (PubChem CID 147324175) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid
PubChem CID147324175
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(-c2cccc3ccccc23)c[nH]1
InChIInChI=1S/C15H11NO2/c17-15(18)14-8-11(9-16-14)13-7-3-5-10-4-1-2-6-12(10)13/h1-9,16H,(H,17,18)
InChIKeyDAJVEULWMOZRLC-UHFFFAOYSA-N
XLogP3.53
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-naphthalen-1-ylbenzoic acid
CID 2760151
4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 84671303
6-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 57264247
4-(2-phenylethyl)-1H-pyrrole-2-carboxylic acid
CID 11845294
4-(3-methylphenyl)-1H-pyrrole-2-carboxylic acid
CID 45496738
5-anthracen-1-ylbenzene-1,3-dicarboxylic acid
CID 175006474
1-(3-naphthalen-1-ylphenyl)-4-[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123841203
1,4-bis[4-(3-naphthalen-1-ylphenyl)naphthalen-1-yl]naphthalene
CID 123399401
3-naphthalen-1-yl-1H-pyrrole
CID 19602051
1H-benzo[g]indole-2-carboxylic acid
CID 645288
1-(3-bromo-5-phenylphenyl)naphthalene
CID 67301635
(2-bromophenyl)-(4-naphthalen-1-yl-1H-pyrrol-3-yl)methanone
CID 102572493

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid (CID 147324175) is 4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc(-c2cccc3ccccc23)c[nH]1.
What is the InChIKey of 4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid?
The InChIKey is DAJVEULWMOZRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO2/c17-15(18)14-8-11(9-16-14)13-7-3-5-10-4-1-2-6-12(10)13/h1-9,16H,(H,17,18).
What are the key properties of 4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid?
4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-1-yl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 147324175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).