3-methyl-2-naphthalen-2-yl-1H-pyrrole

C15H13N — CID 141342045

IUPAC3-methyl-2-naphthalen-2-yl-1H-pyrrole
SMILESCc1cc[nH]c1-c1ccc2ccccc2c1
InChIInChI=1S/C15H13N/c1-11-8-9-16-15(11)14-7-6-12-4-2-3-5-13(12)10-14/h2-10,16H,1H3
InChIKeyFBXPFEJAGCIQJF-UHFFFAOYSA-N
MW207.28 g/mol
LogP4.14
Rot. Bonds1

About 3-methyl-2-naphthalen-2-yl-1H-pyrrole

3-methyl-2-naphthalen-2-yl-1H-pyrrole (PubChem CID 141342045) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-methyl-2-naphthalen-2-yl-1H-pyrrole.

Molecular Properties

Compound Name3-methyl-2-naphthalen-2-yl-1H-pyrrole
PubChem CID141342045
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name3-methyl-2-naphthalen-2-yl-1H-pyrrole
SMILESCc1cc[nH]c1-c1ccc2ccccc2c1
InChIInChI=1S/C15H13N/c1-11-8-9-16-15(11)14-7-6-12-4-2-3-5-13(12)10-14/h2-10,16H,1H3
InChIKeyFBXPFEJAGCIQJF-UHFFFAOYSA-N
XLogP4.14
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

2-(2,3,5,6-tetramethylphenyl)naphthalene
CID 90733282
2-methyl-4-naphthalen-2-ylaniline
CID 54912511
ethane;2-naphthalen-2-yl-1H-imidazole
CID 145111016
2-(2,5-dimethylphenyl)naphthalene
CID 59648717
benzo[f]azulene
CID 13065869
4-(4-methylphenyl)-2,6-dinaphthalen-2-ylpyrimidine
CID 118490750
azane;2-(2,3-dimethylphenyl)naphthalene
CID 175360237
1H-indole;2-methylnaphthalene
CID 20520049
2-(2-fluoro-3-methylphenyl)naphthalene
CID 167454716
2-[3-(4-methylphenyl)-5-(4-phenylphenyl)phenyl]naphthalene
CID 156673302
1,6-bis(2,5-dimethyl-4-naphthalen-2-ylphenyl)pyrene
CID 132596245
2-[4-(4,6-dimethylpyrimidin-2-yl)phenyl]-4,6-dinaphthalen-2-ylpyrimidine
CID 137433549

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-naphthalen-2-yl-1H-pyrrole?
The IUPAC name of 3-methyl-2-naphthalen-2-yl-1H-pyrrole (CID 141342045) is 3-methyl-2-naphthalen-2-yl-1H-pyrrole.
What is the SMILES notation for 3-methyl-2-naphthalen-2-yl-1H-pyrrole?
The canonical SMILES for 3-methyl-2-naphthalen-2-yl-1H-pyrrole is Cc1cc[nH]c1-c1ccc2ccccc2c1.
What is the InChIKey of 3-methyl-2-naphthalen-2-yl-1H-pyrrole?
The InChIKey is FBXPFEJAGCIQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-11-8-9-16-15(11)14-7-6-12-4-2-3-5-13(12)10-14/h2-10,16H,1H3.
What are the key properties of 3-methyl-2-naphthalen-2-yl-1H-pyrrole?
3-methyl-2-naphthalen-2-yl-1H-pyrrole has a molecular weight of 207.28 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-naphthalen-2-yl-1H-pyrrole is sourced from PubChem (CID 141342045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).