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1-[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]ethanol

C15H17NO — CID 159675888

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]ethanol
SMILESCC(O)C1(C2=CN=CC2)Cc2ccccc2C1
InChIInChI=1S/C15H17NO/c1-11(17)15(14-6-7-16-10-14)8-12-4-2-3-5-13(12)9-15/h2-5,7,10-11,17H,6,8-9H2,1H3
InChIKeyMUOZWIXUAGLUCK-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.51
Rot. Bonds2

About 1-[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]ethanol

1-[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]ethanol (PubChem CID 159675888) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 1-[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]ethanol.

Molecular Properties

Compound Name1-[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]ethanol
PubChem CID159675888
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name1-[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]ethanol
SMILESCC(O)C1(C2=CN=CC2)Cc2ccccc2C1
InChIInChI=1S/C15H17NO/c1-11(17)15(14-6-7-16-10-14)8-12-4-2-3-5-13(12)9-15/h2-5,7,10-11,17H,6,8-9H2,1H3
InChIKeyMUOZWIXUAGLUCK-UHFFFAOYSA-N
XLogP2.51
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]ethanol?
The IUPAC name of 1-[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]ethanol (CID 159675888) is 1-[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]ethanol.
What is the SMILES notation for 1-[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]ethanol?
The canonical SMILES for 1-[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]ethanol is CC(O)C1(C2=CN=CC2)Cc2ccccc2C1.
What is the InChIKey of 1-[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]ethanol?
The InChIKey is MUOZWIXUAGLUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-11(17)15(14-6-7-16-10-14)8-12-4-2-3-5-13(12)9-15/h2-5,7,10-11,17H,6,8-9H2,1H3.
What are the key properties of 1-[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]ethanol?
1-[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]ethanol has a molecular weight of 227.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3H-pyrrol-4-yl)-1,3-dihydroinden-2-yl]ethanol is sourced from PubChem (CID 159675888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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