methyl 2-(3-naphthalen-2-yl-1H-pyrrol-2-yl)acetate

C17H15NO2 — CID 135066911

IUPACmethyl 2-(3-naphthalen-2-yl-1H-pyrrol-2-yl)acetate
SMILESCOC(=O)Cc1[nH]ccc1-c1ccc2ccccc2c1
InChIInChI=1S/C17H15NO2/c1-20-17(19)11-16-15(8-9-18-16)14-7-6-12-4-2-3-5-13(12)10-14/h2-10,18H,11H2,1H3
InChIKeyMFMJXNRLIKWWEI-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.55
Rot. Bonds3

About methyl 2-(3-naphthalen-2-yl-1H-pyrrol-2-yl)acetate

methyl 2-(3-naphthalen-2-yl-1H-pyrrol-2-yl)acetate (PubChem CID 135066911) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-(3-naphthalen-2-yl-1H-pyrrol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-naphthalen-2-yl-1H-pyrrol-2-yl)acetate
PubChem CID135066911
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Namemethyl 2-(3-naphthalen-2-yl-1H-pyrrol-2-yl)acetate
SMILESCOC(=O)Cc1[nH]ccc1-c1ccc2ccccc2c1
InChIInChI=1S/C17H15NO2/c1-20-17(19)11-16-15(8-9-18-16)14-7-6-12-4-2-3-5-13(12)10-14/h2-10,18H,11H2,1H3
InChIKeyMFMJXNRLIKWWEI-UHFFFAOYSA-N
XLogP3.55
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl 4-(indol-3-yl)butyrate
CID 85010
2-[4-(1H-Indol-5-yl)-phenyl]-propionic acid
CID 44336354
Methyl 3-(3-naphthalen-2-yl-4-pyridinyl)propanoate
CID 164623496
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 2424351
methyl 3-[(1S,2R,3R)-2-(1H-indol-3-ylmethyl)-2,3-dimethyl-6-propan-2-ylidenecyclohexyl]propanoate
CID 46831975
2-(5-(4-fluorophenyl)-4-(pyridin-4-yl)-1H-pyrrol-2-yl)acetic acid
CID 44411409
3-(naphthalen-1-yl)-3-(1H-pyrrol-1-yl)propanoic acid
CID 5194034
2-[3-(2-phenylethyl)-1H-indol-5-yl]acetic acid
CID 44341152
methyl (1S,5S,6R,8aS)-5-[(5-fluoro-1H-indol-3-yl)methyl]-1,5,6-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-1-carboxylate
CID 76325158
methyl (1S,5S,6R,8aS)-5-(1H-indol-3-ylmethyl)-1,5,6-trimethyl-2,3,6,7,8,8a-hexahydronaphthalene-1-carboxylate
CID 76336031
2-(4-(1h-Indol-5-yl)phenyl)acetic acid
CID 40424082
Methyl 2-(isoquinolin-1-YL)acetate
CID 41645

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-naphthalen-2-yl-1H-pyrrol-2-yl)acetate?
The IUPAC name of methyl 2-(3-naphthalen-2-yl-1H-pyrrol-2-yl)acetate (CID 135066911) is methyl 2-(3-naphthalen-2-yl-1H-pyrrol-2-yl)acetate.
What is the SMILES notation for methyl 2-(3-naphthalen-2-yl-1H-pyrrol-2-yl)acetate?
The canonical SMILES for methyl 2-(3-naphthalen-2-yl-1H-pyrrol-2-yl)acetate is COC(=O)Cc1[nH]ccc1-c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-(3-naphthalen-2-yl-1H-pyrrol-2-yl)acetate?
The InChIKey is MFMJXNRLIKWWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-20-17(19)11-16-15(8-9-18-16)14-7-6-12-4-2-3-5-13(12)10-14/h2-10,18H,11H2,1H3.
What are the key properties of methyl 2-(3-naphthalen-2-yl-1H-pyrrol-2-yl)acetate?
methyl 2-(3-naphthalen-2-yl-1H-pyrrol-2-yl)acetate has a molecular weight of 265.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-naphthalen-2-yl-1H-pyrrol-2-yl)acetate is sourced from PubChem (CID 135066911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).