1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol

C17H17NO — CID 79101717

IUPAC1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol
SMILESCC(O)c1ccn(Cc2cccc3ccccc23)c1
InChIInChI=1S/C17H17NO/c1-13(19)15-9-10-18(11-15)12-16-7-4-6-14-5-2-3-8-17(14)16/h2-11,13,19H,12H2,1H3
InChIKeyMYLDXWMXYMZEFF-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.74
Rot. Bonds3

About 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol

1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol (PubChem CID 79101717) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol
PubChem CID79101717
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC Name1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol
SMILESCC(O)c1ccn(Cc2cccc3ccccc23)c1
InChIInChI=1S/C17H17NO/c1-13(19)15-9-10-18(11-15)12-16-7-4-6-14-5-2-3-8-17(14)16/h2-11,13,19H,12H2,1H3
InChIKeyMYLDXWMXYMZEFF-UHFFFAOYSA-N
XLogP3.74
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(naphthalen-1-ylmethyl)pyrrole-3-carboxylic acid
CID 79103868
1-(1-ethylpyrrol-3-yl)ethanol
CID 79107280
1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]butan-2-amine
CID 66397584
1-[1-[(2-fluoro-4-methoxyphenyl)methyl]pyrrol-3-yl]ethanol
CID 102877935
N-methyl-1-[1-(quinolin-8-ylmethyl)pyrrol-3-yl]ethanamine
CID 79098765
3-[3-(1-hydroxyethyl)pyrrol-1-yl]propan-1-ol
CID 79107179
1-[3-(naphthalen-1-ylmethylsulfanyl)phenyl]ethanol
CID 64664899
2-methyl-3-naphthalen-1-ylpropane-1,1-diol
CID 20647931
1-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrol-3-yl]ethanol
CID 79106442
cyclopropyl-[1-(quinolin-4-ylmethyl)pyrrol-3-yl]methanol
CID 79231730
1-[1-(naphthalen-1-ylmethyl)pyrrolidin-2-yl]propan-2-ol
CID 115758703
1-[1-[(4-nitrophenyl)methyl]pyrrol-3-yl]ethanol
CID 79106547

Frequently Asked Questions

What is the IUPAC name of 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol?
The IUPAC name of 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol (CID 79101717) is 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol.
What is the SMILES notation for 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol?
The canonical SMILES for 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol is CC(O)c1ccn(Cc2cccc3ccccc23)c1.
What is the InChIKey of 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol?
The InChIKey is MYLDXWMXYMZEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-13(19)15-9-10-18(11-15)12-16-7-4-6-14-5-2-3-8-17(14)16/h2-11,13,19H,12H2,1H3.
What are the key properties of 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol?
1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol has a molecular weight of 251.33 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(naphthalen-1-ylmethyl)pyrrol-3-yl]ethanol is sourced from PubChem (CID 79101717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).