2-[(1-methylpyrrol-2-yl)methyl]naphthalen-1-ol

C16H15NO — CID 15617856

IUPAC2-[(1-methylpyrrol-2-yl)methyl]naphthalen-1-ol
SMILESCn1cccc1Cc1ccc2ccccc2c1O
InChIInChI=1S/C16H15NO/c1-17-10-4-6-14(17)11-13-9-8-12-5-2-3-7-15(12)16(13)18/h2-10,18H,11H2,1H3
InChIKeyQBMAYTUJTYZNFS-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.47
Rot. Bonds2

About 2-[(1-methylpyrrol-2-yl)methyl]naphthalen-1-ol

2-[(1-methylpyrrol-2-yl)methyl]naphthalen-1-ol (PubChem CID 15617856) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[(1-methylpyrrol-2-yl)methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[(1-methylpyrrol-2-yl)methyl]naphthalen-1-ol
PubChem CID15617856
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2-[(1-methylpyrrol-2-yl)methyl]naphthalen-1-ol
SMILESCn1cccc1Cc1ccc2ccccc2c1O
InChIInChI=1S/C16H15NO/c1-17-10-4-6-14(17)11-13-9-8-12-5-2-3-7-15(12)16(13)18/h2-10,18H,11H2,1H3
InChIKeyQBMAYTUJTYZNFS-UHFFFAOYSA-N
XLogP3.47
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrrol-2-yl)methyl]naphthalen-1-ol?
The IUPAC name of 2-[(1-methylpyrrol-2-yl)methyl]naphthalen-1-ol (CID 15617856) is 2-[(1-methylpyrrol-2-yl)methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[(1-methylpyrrol-2-yl)methyl]naphthalen-1-ol?
The canonical SMILES for 2-[(1-methylpyrrol-2-yl)methyl]naphthalen-1-ol is Cn1cccc1Cc1ccc2ccccc2c1O.
What is the InChIKey of 2-[(1-methylpyrrol-2-yl)methyl]naphthalen-1-ol?
The InChIKey is QBMAYTUJTYZNFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-17-10-4-6-14(17)11-13-9-8-12-5-2-3-7-15(12)16(13)18/h2-10,18H,11H2,1H3.
What are the key properties of 2-[(1-methylpyrrol-2-yl)methyl]naphthalen-1-ol?
2-[(1-methylpyrrol-2-yl)methyl]naphthalen-1-ol has a molecular weight of 237.30 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrrol-2-yl)methyl]naphthalen-1-ol is sourced from PubChem (CID 15617856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).