1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid

C16H13NO2 — CID 62370147

IUPAC1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1Cc1cccc2ccccc12
InChIInChI=1S/C16H13NO2/c18-16(19)15-9-4-10-17(15)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H,18,19)
InChIKeyDHFJVYKXAZVYCR-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.39
Rot. Bonds3

About 1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid

1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid (PubChem CID 62370147) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid
PubChem CID62370147
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1Cc1cccc2ccccc12
InChIInChI=1S/C16H13NO2/c18-16(19)15-9-4-10-17(15)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H,18,19)
InChIKeyDHFJVYKXAZVYCR-UHFFFAOYSA-N
XLogP3.39
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzothiophen-3-ylmethyl)pyrrole-2-carboxylic acid
CID 79114183
1-(naphthalen-1-ylmethyl)pyrrole-2-carbaldehyde
CID 974670
1-(naphthalen-1-ylmethyl)indole-3-carboxylic acid
CID 91690124
1-(naphthalen-1-ylmethyl)pyrrole-3-carboxylic acid
CID 79103868
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
1-[(4-aminophenyl)methyl]pyrrole-2-carboxylic acid
CID 154695147
1-[(2-chloro-5-fluorophenyl)methyl]pyrrole-2-carboxylic acid
CID 102616561
2-[2-[(2-carbamothioylpyrrol-1-yl)methyl]phenyl]acetic acid
CID 114653807
1-phenacylpyrrole-2-carboxylic acid
CID 58406327
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethyl]pyridin-2-one
CID 9397792

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid (CID 62370147) is 1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid is O=C(O)c1cccn1Cc1cccc2ccccc12.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid?
The InChIKey is DHFJVYKXAZVYCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-16(19)15-9-4-10-17(15)11-13-7-3-6-12-5-1-2-8-14(12)13/h1-10H,11H2,(H,18,19).
What are the key properties of 1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid?
1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid has a molecular weight of 251.29 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 62370147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).